(2S)-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2S)-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2S)-N-[2-(ethylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2S)-N-[2-(ethylamino)-2-oxoethyl]-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2S)-N-[2-(ethylamino)-2-oxoethyl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2S)-N-[2-(ethylamino)-2-keto-ethyl]-2-nosyl-propionamide Formula: C13H17N3O6S MolecularWeight: 343.35558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CNC(=O)[C@H](C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-3-14-12(17)8-15-13(18)9(2)23(21,22)11-6-4-10(5-7-11)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1