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

Systemtic Name: (3S)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H28N4O3S2/c1-17-21(18(2)27(25-17)15-19-8-4-3-5-9-19)14-24-23(28)20-10-6-12-26(16-20)32(29,30)22-11-7-13-31-22/h3-5,7-9,11,13,20H,6,10,12,14-16H2,1-2H3,(H,24,28)/t20-/m0/s1