methyl 2-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-phenylsulfanyl-propanoate

Systemtic Name: methyl 2-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-phenylsulfanyl-propanoate Openeye Name: methyl 2-(2-nitro-4-sulfamoyl-anilino)-3-phenylsulfanyl-propanoate CAS Name: 2-(2-nitro-4-sulfamoylanilino)-3-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 2-(2-nitro-4-sulfamoylanilino)-3-phenylsulfanylpropanoate Traditional Name: 2-(2-nitro-4-sulfamoyl-anilino)-3-(phenylthio)propionic acid methyl ester Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c1-25-16(20)14(10-26-11-5-3-2-4-6-11)18-13-8-7-12(27(17,23)24)9-15(13)19(21)22/h2-9,14,18H,10H2,1H3,(H2,17,23,24)