2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-oxo-acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-keto-acetamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O4S2/c1-27(2)21-11-9-19(10-12-21)22(34(31,32)23-8-5-15-33-23)16-26-24(29)25(30)28-14-13-18-6-3-4-7-20(18)17-28/h3-12,15,22H,13-14,16-17H2,1-2H3,(H,26,29)