3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-propan-2-ylsulfonyl-benzamide

Systemtic Name: 3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-propan-2-ylsulfonyl-benzamide Openeye Name: 3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-isopropylsulfonyl-benzamide CAS Name: 3-[[[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]-N-propan-2-ylsulfonylbenzamide IUPAC Name: 3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-propan-2-ylsulfonylbenzamide Traditional Name: 3-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-isopropylsulfonyl-benzamide Formula: C27H33N5O5S MolecularWeight: 539.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(=O)C1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)C

Isomeric SMILES

CC(C)S(=O)(=O)NC(=O)C1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)C

InChI

InChI=1S/C27H33N5O5S/c1-17(2)38(36,37)31-25(33)19-12-9-13-20(16-19)28-27(35)30-24-26(34)32(3)22-15-8-7-14-21(22)23(29-24)18-10-5-4-6-11-18/h7-9,12-18,24H,4-6,10-11H2,1-3H3,(H,31,33)(H2,28,30,35)