[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H23N3O4S/c1-16-14-18-4-3-5-21(22(18)23-15-16)30(27,28)29-20-8-6-19(7-9-20)25-12-10-24(11-13-25)17(2)26/h3-9,14-15H,10-13H2,1-2H3