[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30ClN3O4S/c1-32-22-9-5-4-8-21(22)26-14-16-27(17-15-26)24(29)19-10-11-20(25)23(18-19)33(30,31)28-12-6-2-3-7-13-28/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3