N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenyl-propanamide

Systemtic Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenyl-propanamide Openeye Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenyl-propanamide CAS Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenylpropanamide IUPAC Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenylpropanamide Traditional Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenyl-propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-28-20-14-18-10-12-24(16-19(18)15-21(20)29-2)30(26,27)13-11-23-22(25)9-8-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3,(H,23,25)