3-(2-azanylethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea; (E)-but-2-enedioate

Systemtic Name: 3-(2-azanylethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea; (E)-but-2-enedioate Openeye Name: 3-(2-aminoethyl)-1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-urea; (E)-but-2-enedioate CAS Name: 3-(2-aminoethyl)-1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylurea; (E)-2-butenedioate IUPAC Name: 3-(2-aminoethyl)-1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylurea; (E)-but-2-enedioate Traditional Name: 3-(2-aminoethyl)-1-(2-besylethyl)-1-isopropyl-urea fumarate Formula: C18H25N3O7S-2 MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H23N3O3S.C4H4O4/c1-12(2)17(14(18)16-9-8-15)10-11-21(19,20)13-6-4-3-5-7-13;5-3(6)1-2-4(7)8/h3-7,12H,8-11,15H2,1-2H3,(H,16,18);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+