7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid

Systemtic Name: 7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid Openeye Name: 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid CAS Name: 7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid IUPAC Name: 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid Traditional Name: 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S/c18-10-14-6-7-17-15(8-14)12-20(24(21,22)23)16(11-19-17)9-13-4-2-1-3-5-13/h1-8,16,19H,9,11-12H2,(H,21,22,23)