5-[13-cyclohexyl-3-methoxy-10-(2-methylpropylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[13-cyclohexyl-3-methoxy-10-(2-methylpropylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[13-cyclohexyl-10-(isobutylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[13-cyclohexyl-3-methoxy-10-[(2-methylpropylsulfonylamino)-oxomethyl]-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[13-cyclohexyl-3-methoxy-10-(2-methylpropylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[13-cyclohexyl-10-(isobutylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylic acid Formula: C34H38N4O6S MolecularWeight: 630.75372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=NN5C)C(=O)O)C6CCCCC6

Isomeric SMILES

CC(C)CS(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=NN5C)C(=O)O)C6CCCCC6

InChI

InChI=1S/C34H38N4O6S/c1-20(2)19-45(42,43)36-33(39)22-10-12-27-29(16-22)38-18-24(31-28(34(40)41)17-35-37(31)3)14-23-15-25(44-4)11-13-26(23)32(38)30(27)21-8-6-5-7-9-21/h10-17,20-21H,5-9,18-19H2,1-4H3,(H,36,39)(H,40,41)