N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(o-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(o-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

InChI

InChI=1S/C27H33N5O3S/c1-20-7-5-6-10-26(20)36(34,35)32-14-13-31(18-24-16-28-19-29-24)25-15-23(12-11-22(25)17-32)30-27(33)21-8-3-2-4-9-21/h5-7,10-12,15-16,19,21H,2-4,8-9,13-14,17-18H2,1H3,(H,28,29)(H,30,33)