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

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Openeye Name: N-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide IUPAC Name: N-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Traditional Name: N-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H35N5O3S/c1-37(35,36)33-17-23-12-13-24(31-28(34)22-10-6-3-7-11-22)15-27(23)32(18-25-16-29-20-30-25)19-26(33)14-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,15-16,20,22,26H,3,6-7,10-11,14,17-19H2,1H3,(H,29,30)(H,31,34)