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

Systemtic Name: (4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(SC(=C3C)C)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(SC(=C3C)C)N4C=CC=C4

InChI

InChI=1S/C23H27N3O3S2/c1-17-7-9-20(10-8-17)31(28,29)26-14-6-13-24(15-16-26)22(27)21-18(2)19(3)30-23(21)25-11-4-5-12-25/h4-5,7-12H,6,13-16H2,1-3H3