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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(4-ethyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-ethylpiperazino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C23H33N5O7S2 MolecularWeight: 555.66742

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O7S2/c1-4-14-33-28(23(24)25)34-19-15-18(3)16-20(17-19)35-37(31,32)22-9-7-6-8-21(22)36(29,30)27-12-10-26(5-2)11-13-27/h6-9,15-17H,4-5,10-14H2,1-3H3,(H3,24,25)