(3S)-N-methyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(isopropylamino)-2-keto-ethyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S2/c1-12(2)17-14(20)11-18(3)16(21)13-6-4-8-19(10-13)25(22,23)15-7-5-9-24-15/h5,7,9,12-13H,4,6,8,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1