[1-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(cyclopentylmethylsulfonyl)propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(cyclopentylmethylsulfonyl)propan-2-yl] dihydrogen phosphate Openeye Name: [1-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]-2-(cyclopentylmethylsulfonyl)ethyl] dihydrogen phosphate CAS Name: [1-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-(cyclopentylmethylsulfonyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(cyclopentylmethylsulfonyl)propan-2-yl] dihydrogen phosphate Traditional Name: [1-[(1,3-benzodioxol-5-ylcarbamoylamino)methyl]-2-(cyclopentylmethylsulfonyl)ethyl] dihydrogen phosphate Formula: C17H25N2O9PS MolecularWeight: 464.427161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CS(=O)(=O)CC(CNC(=O)NC2=CC3=C(C=C2)OCO3)OP(=O)(O)O

Isomeric SMILES

C1CCC(C1)CS(=O)(=O)CC(CNC(=O)NC2=CC3=C(C=C2)OCO3)OP(=O)(O)O

InChI

InChI=1S/C17H25N2O9PS/c20-17(19-13-5-6-15-16(7-13)27-11-26-15)18-8-14(28-29(21,22)23)10-30(24,25)9-12-3-1-2-4-12/h5-7,12,14H,1-4,8-11H2,(H2,18,19,20)(H2,21,22,23)