(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]prop-2-en-1-one Formula: C22H27ClN2O5S2 MolecularWeight: 499.04318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C(=C3)Cl)OC(C)C)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)Cl)OC(C)C)OC

InChI

InChI=1S/C22H27ClN2O5S2/c1-15(2)30-22-18(23)13-17(14-19(22)29-4)6-7-20(26)24-9-11-25(12-10-24)32(27,28)21-8-5-16(3)31-21/h5-8,13-15H,9-12H2,1-4H3/b7-6+