N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-4-propan-2-yl-benzamide

Systemtic Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-4-propan-2-ylbenzamide IUPAC Name: N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylsulfonyl-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-3-mesyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-14(2)19-8-6-16(12-20(19)27(4,25)26)21(24)22-18-7-5-15-9-10-23(3)13-17(15)11-18/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,22,24)