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

Systemtic Name: ethyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O5S2/c1-2-30-22(27)24-11-8-18(9-12-24)23-21(26)20-19(10-14-31-20)32(28,29)25-13-7-16-5-3-4-6-17(16)15-25/h3-6,10,14,18H,2,7-9,11-13,15H2,1H3,(H,23,26)