(3R)-N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H22N6O3S2 MolecularWeight: 422.52498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C17H22N6O3S2/c18-10-13-14(21-22-16(13)19)5-1-7-20-17(24)12-4-2-8-23(11-12)28(25,26)15-6-3-9-27-15/h3,6,9,12H,1-2,4-5,7-8,11H2,(H,20,24)(H3,19,21,22)/t12-/m1/s1