4-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11-2-7-14(10-15(11)18(21)22)25(23,24)17-9-8-12-3-5-13(6-4-12)16(19)20/h2-7,10,17H,8-9H2,1H3,(H,19,20)