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

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C22H29N3O3S/c1-16-5-9-20(10-6-16)29(27,28)24-12-4-11-23(13-14-24)22(26)21-15-17(2)25(18(21)3)19-7-8-19/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3