[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClN3O7S MolecularWeight: 491.90152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18ClN3O7S/c1-13(21(27)24-19-11-16(25(28)29)7-9-18(19)22)32-20(26)12-23-33(30,31)17-8-6-14-4-2-3-5-15(14)10-17/h2-11,13,23H,12H2,1H3,(H,24,27)/t13-/m0/s1