methyl 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H28N4O5S/c1-17-23(18(2)29(27-17)20-9-5-4-6-10-20)26-24(30)19-13-15-28(16-14-19)35(32,33)22-12-8-7-11-21(22)25(31)34-3/h4-12,19H,13-16H2,1-3H3,(H,26,30)