(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H26N4O3S2/c1-14-12-15(2)22(20-14)10-5-8-19-18(23)16-6-3-9-21(13-16)27(24,25)17-7-4-11-26-17/h4,7,11-12,16H,3,5-6,8-10,13H2,1-2H3,(H,19,23)/t16-/m0/s1