methyl 2-[4-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[4-(1-cyano-1-methyl-ethyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[4-(2-cyanopropan-2-yl)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[4-(1-cyano-1-methyl-ethyl)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H27N3O5S/c1-24(2,16-25)18-8-10-19(11-9-18)26-22(28)17-12-14-27(15-13-17)33(30,31)21-7-5-4-6-20(21)23(29)32-3/h4-11,17H,12-15H2,1-3H3,(H,26,28)