methyl 5-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(E)-3-(m-tolyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(E)-3-(m-tolyl)acryloyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C20H22N2O5S2/c1-15-4-3-5-16(12-15)6-7-18(23)21-8-10-22(11-9-21)29(25,26)19-13-17(14-28-19)20(24)27-2/h3-7,12-14H,8-11H2,1-2H3/b7-6+