ethyl 2-cyano-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl 2-cyano-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enoate CAS Name: 2-cyano-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 2-cyano-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-2-34-26(31)21(18-27)16-22-19-30(23-11-5-3-6-12-23)28-25(22)20-10-9-13-24(17-20)35(32,33)29-14-7-4-8-15-29/h3,5-6,9-13,16-17,19H,2,4,7-8,14-15H2,1H3