N-(2-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(2-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(2-ethoxyphenyl)-4-methylsulfanyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonamide CAS Name: N-(2-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(2-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-tosylpiperazino)ethyl]-4-(methylthio)-N-o-phenetyl-benzenesulfonamide Formula: C28H33N3O6S3 MolecularWeight: 603.77312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H33N3O6S3/c1-4-37-27-8-6-5-7-26(27)31(40(35,36)25-15-11-23(38-3)12-16-25)21-28(32)29-17-19-30(20-18-29)39(33,34)24-13-9-22(2)10-14-24/h5-16H,4,17-21H2,1-3H3