(2,3-dimethyl-1H-indol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2,3-dimethyl-1H-indol-5-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone 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)C3=CC4=C(C=C3)NC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=C4C)C

InChI

InChI=1S/C23H27N3O3S/c1-16-5-8-20(9-6-16)30(28,29)26-12-4-11-25(13-14-26)23(27)19-7-10-22-21(15-19)17(2)18(3)24-22/h5-10,15,24H,4,11-14H2,1-3H3