4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3NCC2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3NCC2C(=O)O

InChI

InChI=1S/C17H18N2O5S/c1-24-13-6-8-14(9-7-13)25(22,23)19-11-12-4-2-3-5-15(12)18-10-16(19)17(20)21/h2-9,16,18H,10-11H2,1H3,(H,20,21)