2-cyclohexyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-cyclohexyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-cyclohexyl-2-[5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzodiazepin-4-yl]acetamide CAS Name: 2-cyclohexyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-cyclohexyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetamide Traditional Name: N-benzyl-2-cyclohexyl-2-(5-keto-1-tosyl-2,3-dihydro-1,4-benzodiazepin-4-yl)acetamide Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C3=CC=CC=C32)C(C4CCCCC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C3=CC=CC=C32)C(C4CCCCC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O4S/c1-23-16-18-26(19-17-23)39(37,38)34-21-20-33(31(36)27-14-8-9-15-28(27)34)29(25-12-6-3-7-13-25)30(35)32-22-24-10-4-2-5-11-24/h2,4-5,8-11,14-19,25,29H,3,6-7,12-13,20-22H2,1H3,(H,32,35)