3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide Openeye Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide CAS Name: 3-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-N-methylsulfonylbenzamide IUPAC Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonylbenzamide Traditional Name: 3-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-mesyl-benzamide Formula: C30H39N5O6S MolecularWeight: 597.72556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C4CCCCC4

InChI

InChI=1S/C30H39N5O6S/c1-30(2,3)26(36)19-35-25-16-9-8-15-24(25)34(22-13-6-5-7-14-22)18-23(28(35)38)32-29(39)31-21-12-10-11-20(17-21)27(37)33-42(4,40)41/h8-12,15-17,22-23H,5-7,13-14,18-19H2,1-4H3,(H,33,37)(H2,31,32,39)