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

Systemtic Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone CAS Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-2-30(28,29)26-18-21-11-7-6-10-20(21)16-22(26)23(27)25-14-12-24(13-15-25)17-19-8-4-3-5-9-19/h3-11,22H,2,12-18H2,1H3