13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Systemtic Name: 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide Openeye Name: 3-benzyloxy-13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide CAS Name: 13-cyclohexyl-N-(dimethylsulfamoyl)-6-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide IUPAC Name: 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide Traditional Name: 3-benzoxy-13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-mesylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide Formula: C39H45N5O7S2 MolecularWeight: 759.9339

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)N6CCN(CC6)S(=O)(=O)C)C7CCCCC7

Isomeric SMILES

CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)N6CCN(CC6)S(=O)(=O)C)C7CCCCC7

InChI

InChI=1S/C39H45N5O7S2/c1-41(2)53(49,50)40-38(45)29-14-16-34-35(24-29)44-25-31(39(46)42-18-20-43(21-19-42)52(3,47)48)22-30-23-32(51-26-27-10-6-4-7-11-27)15-17-33(30)37(44)36(34)28-12-8-5-9-13-28/h4,6-7,10-11,14-17,22-24,28H,5,8-9,12-13,18-21,25-26H2,1-3H3,(H,40,45)