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

Systemtic Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-yl-pyrrole-3-carboxylic acid Openeye Name: 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-isopropyl-pyrrole-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]-1-propan-2-yl-3-pyrrolecarboxylic acid IUPAC Name: 2-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylpyrrole-3-carboxylic acid Traditional Name: 2-[13-cyclohexyl-10-(isopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-isopropyl-pyrrole-3-carboxylic acid Formula: C36H41N3O6S MolecularWeight: 643.79224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=C1C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)NS(=O)(=O)C(C)C)C6CCCCC6)C(=O)O

Isomeric SMILES

CC(C)N1C=CC(=C1C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)NS(=O)(=O)C(C)C)C6CCCCC6)C(=O)O

InChI

InChI=1S/C36H41N3O6S/c1-21(2)38-16-15-30(36(41)42)33(38)26-17-25-18-27(45-5)12-14-28(25)34-32(23-9-7-6-8-10-23)29-13-11-24(19-31(29)39(34)20-26)35(40)37-46(43,44)22(3)4/h11-19,21-23H,6-10,20H2,1-5H3,(H,37,40)(H,41,42)