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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: (3-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(=CC=C3)N4C=CC=C4

Isomeric SMILES

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

InChI

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