1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C19H23ClN2O5S2 MolecularWeight: 458.97932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)OC

InChI

InChI=1S/C19H23ClN2O5S2/c1-26-15-5-3-14(13-16(15)27-2)4-7-18(23)21-9-11-22(12-10-21)29(24,25)19-8-6-17(20)28-19/h3,5-6,8,13H,4,7,9-12H2,1-2H3