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

Systemtic Name: 1-[3,5-dimethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[[3,5-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pyrazolyl]sulfonyl]-N-(3,5-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide Traditional Name: N-(3,5-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=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)CC(=O)N4CCCC4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O4S/c1-17-13-18(2)15-22(14-17)26-25(32)21-7-11-29(12-8-21)35(33,34)24-19(3)27-30(20(24)4)16-23(31)28-9-5-6-10-28/h13-15,21H,5-12,16H2,1-4H3,(H,26,32)