2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H29N3O5S/c1-3-33-21-8-10-22(11-9-21)34(31,32)27-16-14-26(15-17-27)25(30)18-24-23-7-5-4-6-20(23)12-13-28(24)19(2)29/h4-13,24H,3,14-18H2,1-2H3