[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: [(3S)-2-esyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-piperonylpiperazino)methanone Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O5S/c1-2-33(29,30)27-16-20-6-4-3-5-19(20)14-21(27)24(28)26-11-9-25(10-12-26)15-18-7-8-22-23(13-18)32-17-31-22/h3-8,13,21H,2,9-12,14-17H2,1H3/t21-/m0/s1