1-(3,4-dimethylphenyl)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-5-keto-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]pyrrolidine-3-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCC4=C(C3)C=CC(=C4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCC4=C(C3)C=CC(=C4)OC)C

InChI

InChI=1S/C25H31N3O5S/c1-17-4-6-22(12-18(17)2)28-16-21(14-24(28)29)25(30)26-9-11-34(31,32)27-10-8-19-13-23(33-3)7-5-20(19)15-27/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,26,30)