1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-indolin-1-yl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-indolin-1-yl-2-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S/c1-18-7-9-20(10-8-18)29(27,28)24-13-4-12-23(15-16-24)17-22(26)25-14-11-19-5-2-3-6-21(19)25/h2-3,5-10H,4,11-17H2,1H3