(4-propan-2-ylphenyl)methyl 2-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-[4-(methylsulfamoyl)-2-nitro-anilino]acetate CAS Name: 2-[4-(methylsulfamoyl)-2-nitroanilino]acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-[4-(methylsulfamoyl)-2-nitroanilino]acetate Traditional Name: 2-[4-(methylsulfamoyl)-2-nitro-anilino]acetic acid (4-isopropylbenzyl) ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-13(2)15-6-4-14(5-7-15)12-28-19(23)11-21-17-9-8-16(29(26,27)20-3)10-18(17)22(24)25/h4-10,13,20-21H,11-12H2,1-3H3