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

Systemtic Name: 3-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzenesulfonic acid Traditional Name: 3-amino-4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]besylic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S/c20-15-3-1-14(2-4-15)12-22-7-9-23(10-8-22)19(24)13-28-18-6-5-16(11-17(18)21)29(25,26)27/h1-6,11H,7-10,12-13,21H2,(H,25,26,27)