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

Systemtic Name: ethyl 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O5S2/c1-2-29-22(26)18-8-5-11-23(14-18)21(25)20-19(10-13-30-20)31(27,28)24-12-9-16-6-3-4-7-17(16)15-24/h3-4,6-7,10,13,18H,2,5,8-9,11-12,14-15H2,1H3