[2-[carbamimidoyl(propoxy)amino]oxyphenyl] benzenesulfonate hydrochloride

Systemtic Name: [2-[carbamimidoyl(propoxy)amino]oxyphenyl] benzenesulfonate hydrochloride Openeye Name: [2-[carbamimidoyl(propoxy)amino]oxyphenyl] benzenesulfonate hydrochloride CAS Name: benzenesulfonic acid [2-[carbamimidoyl(propoxy)amino]oxyphenyl] ester hydrochloride IUPAC Name: [2-[carbamimidoyl(propoxy)amino]oxyphenyl] benzenesulfonate hydrochloride Traditional Name: benzenesulfonic acid [2-[amidino(propoxy)amino]oxyphenyl] ester hydrochloride Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCCON(C(=N)N)OC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H19N3O5S.ClH/c1-2-12-22-19(16(17)18)23-14-10-6-7-11-15(14)24-25(20,21)13-8-4-3-5-9-13;/h3-11H,2,12H2,1H3,(H3,17,18);1H