4-[[4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazino]methyl]benzonitrile Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-2-32(30,31)28-18-22-6-4-3-5-21(22)15-23(28)24(29)27-13-11-26(12-14-27)17-20-9-7-19(16-25)8-10-20/h3-10,23H,2,11-15,17-18H2,1H3