(4-propan-2-ylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (4-isopropylbenzyl) ester Formula: C19H23N3O6S MolecularWeight: 421.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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