1-[3,5-dimethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3,5-dimethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[[3,5-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pyrazolyl]sulfonyl]-N-(2,3-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-[1-(2-keto-2-pyrrolidino-ethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonyl-isonipecotamide Formula: C25H35N5O4S MolecularWeight: 501.6415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)CC(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)CC(=O)N4CCCC4)C)C

InChI

InChI=1S/C25H35N5O4S/c1-17-8-7-9-22(18(17)2)26-25(32)21-10-14-29(15-11-21)35(33,34)24-19(3)27-30(20(24)4)16-23(31)28-12-5-6-13-28/h7-9,21H,5-6,10-16H2,1-4H3,(H,26,32)