(3S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O3S2/c1-16-20(17(2)26(24-16)19-9-4-3-5-10-19)14-23-22(27)18-8-6-12-25(15-18)31(28,29)21-11-7-13-30-21/h3-5,7,9-11,13,18H,6,8,12,14-15H2,1-2H3,(H,23,27)/t18-/m0/s1