(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C21H26N2O5S2/c1-27-18-11-15-7-9-22(13-17(15)12-19(18)28-2)21(24)16-5-3-8-23(14-16)30(25,26)20-6-4-10-29-20/h4,6,10-12,16H,3,5,7-9,13-14H2,1-2H3/t16-/m0/s1