N-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: N-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-N-[(3-methylimidazol-4-yl)methyl]-1,4-benzodiazepine-4-sulfonamide CAS Name: N-[(3-methyl-4-imidazolyl)methyl]-3-(phenylmethyl)-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-N-[(3-methylimidazol-4-yl)methyl]-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-N-[(3-methylimidazol-4-yl)methyl]-1,4-benzodiazepine-4-sulfonamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CNS(=O)(=O)N2C=C3C=CC=CC3=NC=C2CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC=C1CNS(=O)(=O)N2C=C3C=CC=CC3=NC=C2CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-25-16-22-12-20(25)14-24-29(27,28)26-15-18-9-5-6-10-21(18)23-13-19(26)11-17-7-3-2-4-8-17/h2-10,12-13,15-16,24H,11,14H2,1H3