tert-butyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanoate

Systemtic Name: tert-butyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanoate Openeye Name: tert-butyl 3-(2-nitro-4-sulfamoyl-anilino)-4-phenylsulfanyl-butanoate CAS Name: 3-(2-nitro-4-sulfamoylanilino)-4-(phenylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-nitro-4-sulfamoylanilino)-4-phenylsulfanylbutanoate Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)-4-(phenylthio)butyric acid tert-butyl ester Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-20(2,3)29-19(24)11-14(13-30-15-7-5-4-6-8-15)22-17-10-9-16(31(21,27)28)12-18(17)23(25)26/h4-10,12,14,22H,11,13H2,1-3H3,(H2,21,27,28)