[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-1-methylpyrrol-2-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C23H31ClN4O3S MolecularWeight: 479.03524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H31ClN4O3S/c1-18-7-8-19(24)15-21(18)26-11-13-27(14-12-26)23(29)22-16-20(17-25(22)2)32(30,31)28-9-5-3-4-6-10-28/h7-8,15-17H,3-6,9-14H2,1-2H3