1-(4-ethylpiperazin-1-yl)-3-(4-propylsulfonylphenyl)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-propylsulfonylphenyl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-propylsulfonylphenyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(4-propylsulfonylphenyl)isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-propylsulfonylphenyl)isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-(4-propylsulfonylphenyl)isoquinoline Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C24H29N3O2S/c1-3-17-30(28,29)21-11-9-19(10-12-21)23-18-20-7-5-6-8-22(20)24(25-23)27-15-13-26(4-2)14-16-27/h5-12,18H,3-4,13-17H2,1-2H3