(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-furylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-N-(2-furanylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(2-furfuryl)nipecotamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H22N4O4S/c1-12-15(10-18-19(12)2)25(22,23)20-7-3-5-13(11-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,21)/t13-/m0/s1