N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-(2-methylpropoxy)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-isobutoxy-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-isobutoxy-benzenesulfonamide Formula: C25H30N2O3S2 MolecularWeight: 470.6473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H30N2O3S2/c1-19(2)17-30-23-7-9-24(10-8-23)32(28,29)26-15-25(22-12-14-31-18-22)27-13-11-20-5-3-4-6-21(20)16-27/h3-10,12,14,18-19,25-26H,11,13,15-17H2,1-2H3