(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[5-(isobutylcarbamoyl)-1-methyl-pyrazol-4-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-N-[1-methyl-5-[(2-methylpropylamino)-oxomethyl]-4-pyrazolyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[5-(isobutylcarbamoyl)-1-methyl-pyrazol-4-yl]nipecotamide Formula: C20H31N7O4S MolecularWeight: 465.56964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(N(N=C3)C)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(N(N=C3)C)C(=O)NCC(C)C

InChI

InChI=1S/C20H31N7O4S/c1-13(2)9-21-20(29)18-16(10-22-26(18)5)24-19(28)15-7-6-8-27(12-15)32(30,31)17-11-23-25(4)14(17)3/h10-11,13,15H,6-9,12H2,1-5H3,(H,21,29)(H,24,28)/t15-/m0/s1