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

Systemtic Name: (2,5-dimethyl-1-phenyl-pyrrol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2,5-dimethyl-1-phenyl-pyrrol-3-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2,5-dimethyl-1-phenyl-3-pyrrolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2,5-dimethyl-1-phenylpyrrol-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2,5-dimethyl-1-phenyl-pyrrol-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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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)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-19-10-12-23(13-11-19)32(30,31)27-15-7-14-26(16-17-27)25(29)24-18-20(2)28(21(24)3)22-8-5-4-6-9-22/h4-6,8-13,18H,7,14-17H2,1-3H3