N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propanamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propanamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propanamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propanamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-3-28(25,26)23-13-12-17-7-8-19(14-18(17)15-23)22-21(24)11-6-16-4-9-20(27-2)10-5-16/h4-5,7-10,14H,3,6,11-13,15H2,1-2H3,(H,22,24)