N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-benzamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-benzamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethylbenzamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethylbenzamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-benzamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=C2)C

InChI

InChI=1S/C25H26N2O4S/c1-17-12-18(2)14-20(13-17)25(28)26-22-5-4-19-10-11-27(16-21(19)15-22)32(29,30)24-8-6-23(31-3)7-9-24/h4-9,12-15H,10-11,16H2,1-3H3,(H,26,28)