(3R)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O3S2/c1-24(14-19-13-23-25(16-19)15-18-7-3-2-4-8-18)22(27)20-9-5-11-26(17-20)31(28,29)21-10-6-12-30-21/h2-4,6-8,10,12-13,16,20H,5,9,11,14-15,17H2,1H3/t20-/m1/s1