ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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