(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-phenylpiperazino)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-2-29(27,28)25-17-19-9-7-6-8-18(19)16-21(25)22(26)24-14-12-23(13-15-24)20-10-4-3-5-11-20/h3-11,21H,2,12-17H2,1H3