methyl 3-[[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(2-methoxy-1-methyl-ethyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(1-methoxypropan-2-ylsulfamoyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(2-methoxy-1-methyl-ethyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N3O8S/c1-12(11-29-2)21-31(27,28)17-6-4-15(5-7-17)20-18(23)13-8-14(19(24)30-3)10-16(9-13)22(25)26/h4-10,12,21H,11H2,1-3H3,(H,20,23)