13-cyclohexyl-3-methoxy-6-(3-morpholin-4-ylsulfonylpyridin-2-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-methoxy-6-(3-morpholin-4-ylsulfonylpyridin-2-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-3-methoxy-6-(3-morpholinosulfonyl-2-pyridyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylsulfonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-methoxy-6-(3-morpholin-4-ylsulfonylpyridin-2-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-3-methoxy-6-(3-morpholinosulfonyl-2-pyridyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C34H35N3O6S MolecularWeight: 613.7232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=C(C=CC=N5)S(=O)(=O)N6CCOCC6)C=C(C=C4)C(=O)O)C7CCCCC7

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=C(C=CC=N5)S(=O)(=O)N6CCOCC6)C=C(C=C4)C(=O)O)C7CCCCC7

InChI

InChI=1S/C34H35N3O6S/c1-42-26-10-12-27-24(19-26)18-25(32-30(8-5-13-35-32)44(40,41)36-14-16-43-17-15-36)21-37-29-20-23(34(38)39)9-11-28(29)31(33(27)37)22-6-3-2-4-7-22/h5,8-13,18-20,22H,2-4,6-7,14-17,21H2,1H3,(H,38,39)