1-[4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-chlorobenzothiophene-2-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S2/c1-14(25)15-6-8-16(9-7-15)30(27,28)24-12-10-23(11-13-24)21(26)20-19(22)17-4-2-3-5-18(17)29-20/h2-9H,10-13H2,1H3