3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylpyridin-2-yl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylpyridin-2-yl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methyl-2-pyridyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylpyridin-2-yl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methyl-2-pyridyl)benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-16-6-4-11-21(23-16)24-22(26)18-9-5-10-20(14-18)29(27,28)25-13-12-17-7-2-3-8-19(17)15-25/h2-11,14H,12-13,15H2,1H3,(H,23,24,26)