benzenesulfonic acid; 1H-1,4-benzodiazepine

Systemtic Name: benzenesulfonic acid; 1H-1,4-benzodiazepine Openeye Name: benzenesulfonic acid; 1H-1,4-benzodiazepine CAS Name: benzenesulfonic acid; 1H-1,4-benzodiazepine IUPAC Name: benzenesulfonic acid; 1H-1,4-benzodiazepine Traditional Name: 1H-1,4-benzodiazepine; besylic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=NC=CN2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=NC=CN2

InChI

InChI=1S/C9H8N2.C6H6O3S/c1-2-4-9-8(3-1)7-10-5-6-11-9;7-10(8,9)6-4-2-1-3-5-6/h1-7,11H;1-5H,(H,7,8,9)