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

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitroso-naphthalene-1-sulfonic acid Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-nitroso-naphthalene-1-sulfonic acid CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-nitroso-1-naphthalenesulfonic acid IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-nitrosonaphthalene-1-sulfonic acid Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-nitroso-naphthalene-1-sulfonic acid Formula: C23H22ClN3O6S MolecularWeight: 503.95528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O6S/c24-17-7-5-16(6-8-17)14-26-9-11-27(12-10-26)22(28)15-33-23-19-4-2-1-3-18(19)21(34(30,31)32)13-20(23)25-29/h1-8,13H,9-12,14-15H2,(H,30,31,32)