methyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrophenyl)carbonylamino]methyl]amino]ethanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrophenyl)carbonylamino]methyl]amino]ethanoate Openeye Name: methyl 2-[[(3-nitrobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-[[[(3-nitrophenyl)-oxomethyl]amino]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonyl-[[(3-nitrobenzoyl)amino]methyl]amino]acetate Traditional Name: 2-[[(3-nitrobenzoyl)amino]methyl-tosyl-amino]acetic acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-13-6-8-16(9-7-13)29(26,27)20(11-17(22)28-2)12-19-18(23)14-4-3-5-15(10-14)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,23)