4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methyl-phenyl)sulfamoyl]phenyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methyl-phenyl)sulfamoyl]phenyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methyl-phenyl)sulfamoyl]phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2-methoxy-5-methyl-phenyl)sulfamoyl]phenyl]benzamide Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C31H31N3O4S/c1-22-7-16-30(38-2)29(19-22)33-39(36,37)28-14-12-27(13-15-28)32-31(35)25-10-8-23(9-11-25)20-34-18-17-24-5-3-4-6-26(24)21-34/h3-16,19,33H,17-18,20-21H2,1-2H3,(H,32,35)