5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-besylethyl)-5-(4-m-anisylpiperazino)azepan-2-one Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O4S/c1-33-24-7-5-6-22(20-24)21-27-14-16-28(17-15-27)23-10-11-26(30)29(13-12-23)18-19-34(31,32)25-8-3-2-4-9-25/h2-9,20,23H,10-19,21H2,1H3