(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)OC

InChI

InChI=1S/C19H21ClN2O5S2/c1-26-16-13-14(12-15(20)19(16)27-2)5-6-17(23)21-7-9-22(10-8-21)29(24,25)18-4-3-11-28-18/h3-6,11-13H,7-10H2,1-2H3/b6-5+