(2-methylphenyl)methyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoate

Systemtic Name: (2-methylphenyl)methyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoate Openeye Name: o-tolylmethyl 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-methylbenzyl) ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC(C)C)[N+](=O)[O-]

InChI

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