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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-[(4-pyrrolidin-1-yl-1-piperidyl)sulfonyl]benzenesulfonate CAS Name: 2-[[4-(1-pyrrolidinyl)-1-piperidinyl]sulfonyl]benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-pyrrolidinopiperidino)sulfonylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C26H37N5O7S2 MolecularWeight: 595.73128

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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)N4CCCC4

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCC4

InChI

InChI=1S/C26H37N5O7S2/c1-3-16-36-31(26(27)28)37-22-17-20(2)18-23(19-22)38-40(34,35)25-9-5-4-8-24(25)39(32,33)30-14-10-21(11-15-30)29-12-6-7-13-29/h4-5,8-9,17-19,21H,3,6-7,10-16H2,1-2H3,(H3,27,28)