[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-31(29,30)27-17-21-10-6-5-9-20(21)16-23(27)24(28)26-14-12-25(13-15-26)22-11-7-8-18(2)19(22)3/h5-11,23H,4,12-17H2,1-3H3