3-methyl-4-[[4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]sulfonylamino]benzoate

Systemtic Name: 3-methyl-4-[[4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]sulfonylamino]benzoate Openeye Name: 3-methyl-4-[[4-(3-oxido-3-oxo-propyl)phenyl]sulfonylamino]benzoate CAS Name: 3-methyl-4-[[4-(3-oxido-3-oxopropyl)phenyl]sulfonylamino]benzoate IUPAC Name: 3-methyl-4-[[4-(3-oxido-3-oxopropyl)phenyl]sulfonylamino]benzoate Traditional Name: 4-[[4-(3-keto-3-oxido-propyl)phenyl]sulfonylamino]-3-methyl-benzoate Formula: C17H15NO6S-2 MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-11-10-13(17(21)22)5-8-15(11)18-25(23,24)14-6-2-12(3-7-14)4-9-16(19)20/h2-3,5-8,10,18H,4,9H2,1H3,(H,19,20)(H,21,22)/p-2