[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-methylpiperazino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C22H31N5O7S2 MolecularWeight: 541.64084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H31N5O7S2/c1-4-13-32-27(22(23)24)33-18-14-17(2)15-19(16-18)34-36(30,31)21-8-6-5-7-20(21)35(28,29)26-11-9-25(3)10-12-26/h5-8,14-16H,4,9-13H2,1-3H3,(H3,23,24)