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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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