(1-methylindol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-methylindol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (1-methylindol-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-methyl-3-indolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methylindol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (1-methylindol-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C22H25N3O3S/c1-17-8-10-18(11-9-17)29(27,28)25-13-5-12-24(14-15-25)22(26)20-16-23(2)21-7-4-3-6-19(20)21/h3-4,6-11,16H,5,12-15H2,1-2H3