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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]prop-2-en-1-one Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S2/c1-4-29-18-14-16(13-17(22)21(18)28-3)6-7-19(25)23-9-11-24(12-10-23)31(26,27)20-8-5-15(2)30-20/h5-8,13-14H,4,9-12H2,1-3H3/b7-6+