1-(4-hydroxyphenyl)sulfonyl-4-(phenylcarbonyl)-1,4-diazepane-2-carboxylic acid

Systemtic Name: 1-(4-hydroxyphenyl)sulfonyl-4-(phenylcarbonyl)-1,4-diazepane-2-carboxylic acid Openeye Name: 4-benzoyl-1-(4-hydroxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid CAS Name: 4-benzoyl-1-(4-hydroxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid IUPAC Name: 4-benzoyl-1-(4-hydroxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid Traditional Name: 4-benzoyl-1-(4-hydroxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)O)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)O)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S/c22-15-7-9-16(10-8-15)28(26,27)21-12-4-11-20(13-17(21)19(24)25)18(23)14-5-2-1-3-6-14/h1-3,5-10,17,22H,4,11-13H2,(H,24,25)