4-azanyl-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]naphthalene-1-sulfonic acid Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N

InChI

InChI=1S/C23H24ClN3O5S/c24-17-7-5-16(6-8-17)14-26-9-11-27(12-10-26)22(28)15-32-20-13-21(33(29,30)31)18-3-1-2-4-19(18)23(20)25/h1-8,13H,9-12,14-15,25H2,(H,29,30,31)