3-chloranyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-tosylpiperazino)ethyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O4S2/c1-15-6-8-16(9-7-15)32(29,30)26-12-10-25(11-13-26)19(27)14-24-22(28)21-20(23)17-4-2-3-5-18(17)31-21/h2-9H,10-14H2,1H3,(H,24,28)