[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C27H28ClN3O5S MolecularWeight: 542.04632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O5S/c1-20-24(27(28)31(29-20)18-21-8-4-2-5-9-21)14-15-26(33)36-19-25(32)22-10-12-23(13-11-22)37(34,35)30-16-6-3-7-17-30/h2,4-5,8-15H,3,6-7,16-19H2,1H3