[[2-[[2-(3-carbamimidoylphenoxy)-4-piperidin-4-yloxy-phenyl]methyl]phenyl]-ethoxy-phosphoryl] sulfamate

Systemtic Name: [[2-[[2-(3-carbamimidoylphenoxy)-4-piperidin-4-yloxy-phenyl]methyl]phenyl]-ethoxy-phosphoryl] sulfamate Openeye Name: [[2-[[2-(3-carbamimidoylphenoxy)-4-(4-piperidyloxy)phenyl]methyl]phenyl]-ethoxy-phosphoryl] sulfamate CAS Name: sulfamic acid [[2-[[2-(3-carbamimidoylphenoxy)-4-(4-piperidinyloxy)phenyl]methyl]phenyl]-ethoxyphosphoryl] ester IUPAC Name: [[2-[[2-(3-carbamimidoylphenoxy)-4-piperidin-4-yloxyphenyl]methyl]phenyl]-ethoxyphosphoryl] sulfamate Traditional Name: sulfamic acid [[2-[2-(3-amidinophenoxy)-4-(4-piperidyloxy)benzyl]phenyl]-ethoxy-phosphoryl] ester Formula: C27H33N4O7PS MolecularWeight: 588.612281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1CC2=C(C=C(C=C2)OC3CCNCC3)OC4=CC=CC(=C4)C(=N)N)OS(=O)(=O)N

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1CC2=C(C=C(C=C2)OC3CCNCC3)OC4=CC=CC(=C4)C(=N)N)OS(=O)(=O)N

InChI

InChI=1S/C27H33N4O7PS/c1-2-35-39(32,38-40(30,33)34)26-9-4-3-6-20(26)16-19-10-11-24(36-22-12-14-31-15-13-22)18-25(19)37-23-8-5-7-21(17-23)27(28)29/h3-11,17-18,22,31H,2,12-16H2,1H3,(H3,28,29)(H2,30,33,34)