5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-methoxyphenyl)-1-piperazinyl]-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-besylethyl)-5-[4-(2-methoxyphenyl)piperazino]azepan-2-one Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c1-32-24-10-6-5-9-23(24)27-17-15-26(16-18-27)21-11-12-25(29)28(14-13-21)19-20-33(30,31)22-7-3-2-4-8-22/h2-10,21H,11-20H2,1H3