4-[2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-9-15(19(22)23)10-16(12(11)2)26(24,25)18-8-7-13-3-5-14(6-4-13)17(20)21/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)