[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-(3,5-dimethyl-1-phenyl-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-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H29N3O5S/c1-20-25(21(2)30(28-20)23-9-5-3-6-10-23)15-16-27(32)35-19-26(31)22-11-13-24(14-12-22)36(33,34)29-17-7-4-8-18-29/h3,5-6,9-16H,4,7-8,17-19H2,1-2H3