2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(p-tolylsulfonylcarbamoyl)amino]acetic acid CAS Name: 2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-(tosylcarbamoyl)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)NC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

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