2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl 1H-pyrrole-3-carboxylate

Systemtic Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl 1H-pyrrole-3-carboxylate Openeye Name: 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl 1H-pyrrole-3-carboxylate CAS Name: 1H-pyrrole-3-carboxylic acid 2-[13-cyclohexyl-3-methoxy-10-[oxo-(propan-2-ylsulfonylamino)methyl]-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl ester IUPAC Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl 1H-pyrrole-3-carboxylate Traditional Name: 1H-pyrrole-3-carboxylic acid 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]ethyl ester Formula: C35H39N3O6S MolecularWeight: 629.76566

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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)CCOC(=O)C5=CNC=C5)C6CCCCC6

Isomeric SMILES

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

InChI

InChI=1S/C35H39N3O6S/c1-22(2)45(41,42)37-34(39)25-9-11-30-31(19-25)38-21-23(14-16-44-35(40)26-13-15-36-20-26)17-27-18-28(43-3)10-12-29(27)33(38)32(30)24-7-5-4-6-8-24/h9-13,15,17-20,22,24,36H,4-8,14,16,21H2,1-3H3,(H,37,39)