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

Systemtic Name: (3S)-N-[(2S)-5-methylhexan-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1,4-dimethylpentyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-5-methylhexan-2-yl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-5-methylhexan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1,4-dimethylpentyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H28N2O3S2 MolecularWeight: 372.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H28N2O3S2/c1-13(2)8-9-14(3)18-17(20)15-6-4-10-19(12-15)24(21,22)16-7-5-11-23-16/h5,7,11,13-15H,4,6,8-10,12H2,1-3H3,(H,18,20)/t14-,15-/m0/s1