methyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-3-(p-tolylsulfonylamino)propanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-3-(tosylamino)propionic acid methyl ester Formula: C24H22N4O9S MolecularWeight: 542.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O9S/c1-15-8-10-20(11-9-15)38(35,36)26-21(16-6-4-3-5-7-16)22(24(30)37-2)25-23(29)17-12-18(27(31)32)14-19(13-17)28(33)34/h3-14,21-22,26H,1-2H3,(H,25,29)