(E)-but-2-enedioate; 3-(4-ethylsulfinylphenoxy)-N-methyl-3-phenyl-propan-1-amine; 3-(4-ethylsulfonylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-1-sulfonic acid

Systemtic Name: (E)-but-2-enedioate; 3-(4-ethylsulfinylphenoxy)-N-methyl-3-phenyl-propan-1-amine; 3-(4-ethylsulfonylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-1-sulfonic acid Openeye Name: (E)-but-2-enedioate; 3-(4-ethylsulfinylphenoxy)-N-methyl-3-phenyl-propan-1-amine; 3-(4-ethylsulfonylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-1-sulfonic acid CAS Name: (E)-2-butenedioate; 3-(4-ethylsulfinylphenoxy)-N-methyl-3-phenyl-1-propanamine; 3-(4-ethylsulfonylphenoxy)-N-methyl-3-phenyl-1-propanamine; 1-naphthalenesulfonic acid IUPAC Name: (E)-but-2-enedioate; 3-(4-ethylsulfinylphenoxy)-N-methyl-3-phenylpropan-1-amine; 3-(4-ethylsulfonylphenoxy)-N-methyl-3-phenylpropan-1-amine; naphthalene-1-sulfonic acid Traditional Name: [3-(4-esylphenoxy)-3-phenyl-propyl]-methyl-amine; [3-(4-ethylsulfinylphenoxy)-3-phenyl-propyl]-methyl-amine; naphthalene-1-sulfonic acid; fumarate Formula: C50H56N2O12S3-2 MolecularWeight: 973.18084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=C(C=C1)OC(CCNC)C2=CC=CC=C2.CCS(=O)(=O)C1=CC=C(C=C1)OC(CCNC)C2=CC=CC=C2.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCS(=O)C1=CC=C(C=C1)OC(CCNC)C2=CC=CC=C2.CCS(=O)(=O)C1=CC=C(C=C1)OC(CCNC)C2=CC=CC=C2.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H23NO3S.C18H23NO2S.C10H8O3S.C4H4O4/c1-3-23(20,21)17-11-9-16(10-12-17)22-18(13-14-19-2)15-7-5-4-6-8-15;1-3-22(20)17-11-9-16(10-12-17)21-18(13-14-19-2)15-7-5-4-6-8-15;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;5-3(6)1-2-4(7)8/h4-12,18-19H,3,13-14H2,1-2H3;4-12,18-19H,3,13-14H2,1-2H3;1-7H,(H,11,12,13);1-2H,(H,5,6)(H,7,8)/p-2/b;;;2-1+