4-[2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]ethylsulfamoyl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]ethylsulfamoyl]-3-nitro-benzoic acid Openeye Name: 4-[2-[benzyl(tert-butoxycarbonyl)amino]ethylsulfamoyl]-3-nitro-benzoic acid CAS Name: 4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]ethylsulfamoyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfamoyl]-3-nitrobenzoic acid Traditional Name: 4-[2-[benzyl(tert-butoxycarbonyl)amino]ethylsulfamoyl]-3-nitro-benzoic acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O8S/c1-21(2,3)32-20(27)23(14-15-7-5-4-6-8-15)12-11-22-33(30,31)18-10-9-16(19(25)26)13-17(18)24(28)29/h4-10,13,22H,11-12,14H2,1-3H3,(H,25,26)