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

Systemtic Name: 2-(2-methylindol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-methylindol-1-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-methyl-1-indolyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-methylindol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-methylindol-1-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3O3S/c1-18-8-10-21(11-9-18)30(28,29)25-13-5-12-24(14-15-25)23(27)17-26-19(2)16-20-6-3-4-7-22(20)26/h3-4,6-11,16H,5,12-15,17H2,1-2H3