[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C22H23ClN2O5S2 MolecularWeight: 495.01142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C=C1

InChI

InChI=1S/C22H23ClN2O5S2/c1-15-2-3-16-13-20(31-19(16)12-15)22(27)30-14-21(26)24-8-10-25(11-9-24)32(28,29)18-6-4-17(23)5-7-18/h2-7,12,20H,8-11,13-14H2,1H3