3-[(5-bromanyl-1-cyclopropylcarbonyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-[(5-bromanyl-1-cyclopropylcarbonyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 3-[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonyl-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 3-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonyl-N-(3,4-dimethoxyphenyl)propionamide Formula: C23H25BrN2O6S MolecularWeight: 537.4234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4)OC

InChI

InChI=1S/C23H25BrN2O6S/c1-31-18-6-5-17(13-19(18)32-2)25-21(27)8-10-33(29,30)20-12-16(24)11-15-7-9-26(22(15)20)23(28)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,25,27)