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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O4S2/c23-20-17-8-4-5-9-18(17)31-21(20)22(28)24-14-19(27)25-10-12-26(13-11-25)32(29,30)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,24,28)