1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-N,3-bis(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-N,3-bis(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Openeye Name: N,3-dibenzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-N,3-bis(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: N,3-dibenzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Traditional Name: N,3-dibenzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Formula: C29H30N6O2S MolecularWeight: 526.6525

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)[N+]#[C-])N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)[N+]#[C-])N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C29H30N6O2S/c1-30-26-13-14-29-25(16-26)19-35(38(36,37)33(2)18-24-11-7-4-8-12-24)28(15-23-9-5-3-6-10-23)21-34(29)20-27-17-31-22-32-27/h3-14,16-17,22,28H,15,18-21H2,2H3,(H,31,32)