8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]quinoline-5-sulfonic acid

Systemtic Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]quinoline-5-sulfonic acid Openeye Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]quinoline-5-sulfonic acid CAS Name: 8-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-5-quinolinesulfonic acid IUPAC Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]quinoline-5-sulfonic acid Traditional Name: 8-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]quinoline-5-sulfonic acid Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=N4

InChI

InChI=1S/C22H22ClN3O5S/c23-17-5-3-16(4-6-17)14-25-10-12-26(13-11-25)21(27)15-31-19-7-8-20(32(28,29)30)18-2-1-9-24-22(18)19/h1-9H,10-15H2,(H,28,29,30)