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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(4-phenyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-phenylpiperazino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C27H33N5O7S2 MolecularWeight: 603.71022

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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)C4=CC=CC=C4

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O7S2/c1-3-17-37-32(27(28)29)38-23-18-21(2)19-24(20-23)39-41(35,36)26-12-8-7-11-25(26)40(33,34)31-15-13-30(14-16-31)22-9-5-4-6-10-22/h4-12,18-20H,3,13-17H2,1-2H3,(H3,28,29)