4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonic acid Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzenesulfonic acid CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzenesulfonic acid Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-nitro-besylic acid Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O7S/c20-15-3-1-14(2-4-15)12-21-7-9-22(10-8-21)19(24)13-30-18-6-5-16(31(27,28)29)11-17(18)23(25)26/h1-6,11H,7-10,12-13H2,(H,27,28,29)