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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3CCC(=O)N(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O4S/c1-2-33-25-11-7-6-10-24(25)28-18-16-27(17-19-28)22-12-13-26(30)29(15-14-22)20-21-34(31,32)23-8-4-3-5-9-23/h3-11,22H,2,12-21H2,1H3