ethyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O5S2/c1-2-30-23(27)16-9-11-19(12-10-16)24-22(26)20-14-17-6-3-4-7-18(17)15-25(20)32(28,29)21-8-5-13-31-21/h3-13,20H,2,14-15H2,1H3,(H,24,26)