1-methyl-N-[2-(1-propylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine; naphthalene-2-sulfonic acid

Systemtic Name: 1-methyl-N-[2-(1-propylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine; naphthalene-2-sulfonic acid Openeye Name: 1-methyl-N-[2-(1-propylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine; naphthalene-2-sulfonic acid CAS Name: 1-methyl-N-[2-[(1-propyl-3-indolyl)thio]ethyl]-2-pyrrolidinimine; 2-naphthalenesulfonic acid IUPAC Name: 1-methyl-N-[2-(1-propylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine; naphthalene-2-sulfonic acid Traditional Name: (1-methylpyrrolidin-2-ylidene)-[2-[(1-propylindol-3-yl)thio]ethyl]amine; naphthalene-2-sulfonic acid Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)SCCN=C3CCCN3C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)SCCN=C3CCCN3C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C18H25N3S.C10H8O3S/c1-3-11-21-14-17(15-7-4-5-8-16(15)21)22-13-10-19-18-9-6-12-20(18)2;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h4-5,7-8,14H,3,6,9-13H2,1-2H3;1-7H,(H,11,12,13)