7-(4-methoxyphenyl)sulfonyl-1,2-diazepine-1-carboxylic acid

Systemtic Name: 7-(4-methoxyphenyl)sulfonyl-1,2-diazepine-1-carboxylic acid Openeye Name: 7-(4-methoxyphenyl)sulfonyldiazepine-1-carboxylic acid CAS Name: 7-(4-methoxyphenyl)sulfonyl-1-diazepinecarboxylic acid IUPAC Name: 7-(4-methoxyphenyl)sulfonyldiazepine-1-carboxylic acid Traditional Name: 7-(4-methoxyphenyl)sulfonyldiazepine-1-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=NN2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=NN2C(=O)O

InChI

InChI=1S/C13H12N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)12-4-2-3-9-14-15(12)13(16)17/h2-9H,1H3,(H,16,17)