6-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-sulfonic acid

Systemtic Name: 6-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-sulfonic acid Openeye Name: 6-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-2-sulfonic acid CAS Name: 6-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-naphthalenesulfonic acid IUPAC Name: 6-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-2-sulfonic acid Traditional Name: 6-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]naphthalene-2-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=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

InChI

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