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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[[(3-nitrophenyl)carbonylamino]methyl]amino]ethanoic acid Openeye Name: 2-[[(3-nitrobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-[[[(3-nitrophenyl)-oxomethyl]amino]methyl]amino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-[[(3-nitrobenzoyl)amino]methyl]amino]acetic acid Traditional Name: 2-[[(3-nitrobenzoyl)amino]methyl-tosyl-amino]acetic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7S/c1-12-5-7-15(8-6-12)28(26,27)19(10-16(21)22)11-18-17(23)13-3-2-4-14(9-13)20(24)25/h2-9H,10-11H2,1H3,(H,18,23)(H,21,22)