2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]thiophene-3-carboxylic acid

Systemtic Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]thiophene-3-carboxylic acid Openeye Name: 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]thiophene-3-carboxylic acid CAS Name: 2-[13-cyclohexyl-3-methoxy-10-[oxo-(propan-2-ylsulfonylamino)methyl]-7H-indolo[2,1-a][2]benzazepin-6-yl]-3-thiophenecarboxylic acid IUPAC Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]thiophene-3-carboxylic acid Traditional Name: 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-3-thenoic acid Formula: C33H34N2O6S2 MolecularWeight: 618.76286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=CS5)C(=O)O)C6CCCCC6

Isomeric SMILES

CC(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=CS5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C33H34N2O6S2/c1-19(2)43(39,40)34-32(36)21-9-11-26-28(17-21)35-18-23(31-27(33(37)38)13-14-42-31)15-22-16-24(41-3)10-12-25(22)30(35)29(26)20-7-5-4-6-8-20/h9-17,19-20H,4-8,18H2,1-3H3,(H,34,36)(H,37,38)