[3-[[3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-oxidanyl-propyl]sulfamic acid

Systemtic Name: [3-[[3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-oxidanyl-propyl]sulfamic acid Openeye Name: [3-[[3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-2-hydroxy-propyl]sulfamic acid CAS Name: [3-[[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-methylamino]-2-hydroxypropyl]sulfamic acid IUPAC Name: [3-[[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-methylamino]-2-hydroxypropyl]sulfamic acid Traditional Name: [3-[[3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-2-hydroxy-propyl]sulfamic acid Formula: C14H23ClN2O6S MolecularWeight: 382.86022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN(C)CC(CNS(=O)(=O)O)O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CN(C)CC(CNS(=O)(=O)O)O)O)Cl

InChI

InChI=1S/C14H23ClN2O6S/c1-10-5-13(3-4-14(10)15)23-9-12(19)8-17(2)7-11(18)6-16-24(20,21)22/h3-5,11-12,16,18-19H,6-9H2,1-2H3,(H,20,21,22)