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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]benzenesulfonate CAS Name: 2-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-piperidinopiperidino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C27H39N5O7S2 MolecularWeight: 609.75786

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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)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C27H39N5O7S2/c1-3-17-37-32(27(28)29)38-23-18-21(2)19-24(20-23)39-41(35,36)26-10-6-5-9-25(26)40(33,34)31-15-11-22(12-16-31)30-13-7-4-8-14-30/h5-6,9-10,18-20,22H,3-4,7-8,11-17H2,1-2H3,(H3,28,29)