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

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylsulfonylcarbamoyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[benzenesulfonamido(oxo)methyl]-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[besylcarbamoyl-(4-nitrobenzyl)amino]acetic acid Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c20-15(21)11-18(10-12-6-8-13(9-7-12)19(23)24)16(22)17-27(25,26)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,22)(H,20,21)