4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonylthiophene-2-carboxamide

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonylthiophene-2-carboxamide Openeye Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]thiophene-2-carboxamide CAS Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonylthiophene-2-carboxamide Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonylthiophene-2-carboxamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)N)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)N)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N3O3S2/c21-20(24)19-10-18(14-27-19)28(25,26)23-8-3-4-15(12-23)11-22-9-7-16-5-1-2-6-17(16)13-22/h1-2,5-6,10,14-15H,3-4,7-9,11-13H2,(H2,21,24)