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

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-1-sulfonic acid Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-1-sulfonic acid CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-1-naphthalenesulfonic acid IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-1-sulfonic acid Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]naphthalene-1-sulfonic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

InChI=1S/C23H23ClN2O5S/c24-18-7-5-17(6-8-18)15-25-11-13-26(14-12-25)23(27)16-31-21-9-10-22(32(28,29)30)20-4-2-1-3-19(20)21/h1-10H,11-16H2,(H,28,29,30)