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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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