[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-1-methylpyrrol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O4S/c1-24-18-21(32(29,30)27-11-5-3-4-6-12-27)17-22(24)23(28)26-15-13-25(14-16-26)19-7-9-20(31-2)10-8-19/h7-10,17-18H,3-6,11-16H2,1-2H3