methyl N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate

Systemtic Name: methyl N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate Openeye Name: methyl N-[4-[[1-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate CAS Name: N-[4-[[1-(3-thiophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate Traditional Name: N-[4-[[1-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamic acid methyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CSC=C4

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CSC=C4

InChI

InChI=1S/C21H20N2O4S2/c1-27-21(24)22-17-6-8-18(9-7-17)29(25,26)23-12-10-15-4-2-3-5-19(15)20(23)16-11-13-28-14-16/h2-9,11,13-14,20H,10,12H2,1H3,(H,22,24)