5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-(4-o-phenetylpiperazino)sulfonylisoquinoline Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O3S/c1-2-27-20-8-4-3-7-19(20)23-12-14-24(15-13-23)28(25,26)21-9-5-6-17-16-22-11-10-18(17)21/h3-11,16H,2,12-15H2,1H3