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

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-6-(dimethylamino)naphthalene-2-sulfonic acid Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-6-(dimethylamino)naphthalene-2-sulfonic acid CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-6-(dimethylamino)-2-naphthalenesulfonic acid IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-(dimethylamino)naphthalene-2-sulfonic acid Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-6-(dimethylamino)naphthalene-2-sulfonic acid Formula: C25H28ClN3O5S MolecularWeight: 518.02492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)OCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)OCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O5S/c1-27(2)21-8-5-19-13-22(35(31,32)33)15-24(23(19)14-21)34-17-25(30)29-11-9-28(10-12-29)16-18-3-6-20(26)7-4-18/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,31,32,33)