N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)CC)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)CC)C

InChI

InChI=1S/C25H34N4O3S/c1-4-27-12-14-28(15-13-27)23-11-10-22(16-19(23)3)26-25(30)24-17-20-8-6-7-9-21(20)18-29(24)33(31,32)5-2/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3,(H,26,30)