N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H25N3O4S2/c1-3-8-17-15(20)12(2)18-16(21)13-6-9-19(10-7-13)25(22,23)14-5-4-11-24-14/h4-5,11-13H,3,6-10H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1