N-[4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]phenyl]butanamide Openeye Name: N-[4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]butanamide CAS Name: N-[4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]butanamide IUPAC Name: N-[4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]butanamide Traditional Name: N-[4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]butyramide Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H27N3O4S/c1-2-6-25(30)27-22-11-13-24(14-12-22)34(32,33)28-23-10-9-19-15-16-29(18-21(19)17-23)26(31)20-7-4-3-5-8-20/h3-5,7-14,17,28H,2,6,15-16,18H2,1H3,(H,27,30)