[2-[5-cyano-1-(2-methoxyethyl)-6-oxidanylidene-pyridin-3-yl]carbonylphenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[5-cyano-1-(2-methoxyethyl)-6-oxidanylidene-pyridin-3-yl]carbonylphenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[5-cyano-1-(2-methoxyethyl)-6-oxo-pyridine-3-carbonyl]phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[[5-cyano-1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-oxomethyl]phenyl] ester IUPAC Name: [2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[5-cyano-6-keto-1-(2-methoxyethyl)nicotinoyl]phenyl] ester Formula: C29H29N3O7S MolecularWeight: 563.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)CCOC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)CCOC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C29H29N3O7S/c1-20-10-11-21(17-26(20)40(36,37)32-12-6-3-7-13-32)29(35)39-25-9-5-4-8-24(25)27(33)23-16-22(18-30)28(34)31(19-23)14-15-38-2/h4-5,8-11,16-17,19H,3,6-7,12-15H2,1-2H3