[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C23H38N4O3S MolecularWeight: 450.63782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H38N4O3S/c1-19-18-22(20(2)27(19)21-10-6-5-7-11-21)23(28)24-14-16-26(17-15-24)31(29,30)25-12-8-3-4-9-13-25/h18,21H,3-17H2,1-2H3