[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium Openeye Name: [(1R)-1-(benzylsulfanylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-(4-nitroanilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]ammonium IUPAC Name: [(2R)-3-benzylsulfanyl-1-(4-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-1-[(benzylthio)methyl]-2-keto-2-(4-nitroanilino)ethyl]ammonium Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)/p+1/t15-/m0/s1