N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(3-indolin-1-ylpropyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(3-indolin-1-ylpropyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCN2CCC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCN2CCC3=CC=CC=C32

InChI

InChI=1S/C23H31N3O3S2/c1-18-8-10-20(11-9-18)31(28,29)25-21(13-17-30-2)23(27)24-14-5-15-26-16-12-19-6-3-4-7-22(19)26/h3-4,6-11,21,25H,5,12-17H2,1-2H3,(H,24,27)