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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30ClN3O4S/c1-32-21-8-6-7-20(18-21)26-13-15-27(16-14-26)24(29)19-9-10-22(25)23(17-19)33(30,31)28-11-4-2-3-5-12-28/h6-10,17-18H,2-5,11-16H2,1H3