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

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

C1CN(CCC1CN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CSC(=C4)C(=O)N

Isomeric SMILES

C1CN(CCC1CN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CSC(=C4)C(=O)N

InChI

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