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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(4-methylsulfonyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-mesylpiperazino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C22H31N5O9S3 MolecularWeight: 605.70464

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O9S3/c1-4-13-34-27(22(23)24)35-18-14-17(2)15-19(16-18)36-39(32,33)21-8-6-5-7-20(21)38(30,31)26-11-9-25(10-12-26)37(3,28)29/h5-8,14-16H,4,9-13H2,1-3H3,(H3,23,24)