7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid

Systemtic Name: 7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid Openeye Name: 3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid CAS Name: 7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid IUPAC Name: 3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid Traditional Name: 3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c22-10-17-6-7-21-18(8-17)12-26(30(27,28)29)20(9-16-4-2-1-3-5-16)14-25(21)13-19-11-23-15-24-19/h1-8,11,15,20H,9,12-14H2,(H,23,24)(H,27,28,29)