8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-7-iodanyl-quinoline-5-sulfonic acid

Systemtic Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-7-iodanyl-quinoline-5-sulfonic acid Openeye Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-7-iodo-quinoline-5-sulfonic acid CAS Name: 8-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-7-iodo-5-quinolinesulfonic acid IUPAC Name: 8-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-7-iodoquinoline-5-sulfonic acid Traditional Name: 8-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-7-iodo-quinoline-5-sulfonic acid Formula: C22H21ClIN3O5S MolecularWeight: 601.84171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C4=C3N=CC=C4)S(=O)(=O)O)I

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C4=C3N=CC=C4)S(=O)(=O)O)I

InChI

InChI=1S/C22H21ClIN3O5S/c23-16-5-3-15(4-6-16)13-26-8-10-27(11-9-26)20(28)14-32-22-18(24)12-19(33(29,30)31)17-2-1-7-25-21(17)22/h1-7,12H,8-11,13-14H2,(H,29,30,31)