(3S)-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4S2/c1-3-16-14(19)11(2)17-15(20)12-6-4-8-18(10-12)24(21,22)13-7-5-9-23-13/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1