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

Systemtic Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-N-[3-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]nipecotamide Formula: C21H27N7O5S MolecularWeight: 489.54798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN(N=C3C(=O)NCC4=CC=CO4)C

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CN(N=C3C(=O)NCC4=CC=CO4)C

InChI

InChI=1S/C21H27N7O5S/c1-14-18(11-23-27(14)3)34(31,32)28-8-4-6-15(12-28)20(29)24-17-13-26(2)25-19(17)21(30)22-10-16-7-5-9-33-16/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H,22,30)(H,24,29)/t15-/m0/s1