3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methyl-2-oxidanyl-phenyl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methyl-2-oxidanyl-phenyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-hydroxy-4-methyl-phenyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-hydroxy-4-methylphenyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-hydroxy-4-methylphenyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-hydroxy-4-methyl-phenyl)benzamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C23H22N2O4S/c1-16-9-10-21(22(26)13-16)24-23(27)18-7-4-8-20(14-18)30(28,29)25-12-11-17-5-2-3-6-19(17)15-25/h2-10,13-14,26H,11-12,15H2,1H3,(H,24,27)