N-[2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]phenyl]-4-methyl-benzenesulfonamide Formula: C33H31N5O3S MolecularWeight: 577.69594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCN(C4=C(C3)C=C(C=C4)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCN(C4=C(C3)C=C(C=C4)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C33H31N5O3S/c1-24-11-14-29(15-12-24)42(40,41)36-31-10-6-5-9-30(31)33(39)38-18-17-37(22-28-20-34-23-35-28)32-16-13-26(19-27(32)21-38)25-7-3-2-4-8-25/h2-16,19-20,23,36H,17-18,21-22H2,1H3,(H,34,35)