(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O5S/c1-31-21-8-4-7-20(14-21)26-16-19(13-22(26)27)23(28)24-10-12-32(29,30)25-11-9-17-5-2-3-6-18(17)15-25/h2-8,14,19H,9-13,15-16H2,1H3,(H,24,28)/t19-/m0/s1