[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: (4-pyrrol-1-ylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-19-5-11-22(12-6-19)30(28,29)26-16-4-15-25(17-18-26)23(27)20-7-9-21(10-8-20)24-13-2-3-14-24/h2-3,5-14H,4,15-18H2,1H3