3-[(4-bromanylisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide

Systemtic Name: 3-[(4-bromanylisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide Openeye Name: 3-[(4-bromo-3-isoquinolyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide CAS Name: 3-[(4-bromo-3-isoquinolinyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide IUPAC Name: 3-[(4-bromoisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[(4-bromo-3-isoquinolyl)methyl]-2-methyl-1H-indole-5-carboxamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C4=CC=CC=C4C=N3)Br)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C4=CC=CC=C4C=N3)Br)C

InChI

InChI=1S/C25H26BrN3O3S/c1-3-4-7-12-33(31,32)29-25(30)17-10-11-22-21(13-17)20(16(2)28-22)14-23-24(26)19-9-6-5-8-18(19)15-27-23/h5-6,8-11,13,15,28H,3-4,7,12,14H2,1-2H3,(H,29,30)