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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CN2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

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