N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]prop-2-yne-1-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]prop-2-yne-1-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]prop-2-yne-1-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-propyne-1-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]prop-2-yne-1-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]prop-2-yne-1-sulfonamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)CC#C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)CC#C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H27N3O2S/c1-4-15-28(26,27)23-16-22(19-9-11-21(12-10-19)24(2)3)25-14-13-18-7-5-6-8-20(18)17-25/h1,5-12,22-23H,13-17H2,2-3H3