[2-azanyl-3-[3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-6-methoxy-5-(methylamino)-4-oxidanyl-cyclohexyl] methanesulfonate

Systemtic Name: [2-azanyl-3-[3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-6-methoxy-5-(methylamino)-4-oxidanyl-cyclohexyl] methanesulfonate Openeye Name: [2-amino-3-[3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-methoxy-5-(methylamino)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [2-amino-3-[[3-amino-6-(1-aminoethyl)-2-oxanyl]oxy]-4-hydroxy-6-methoxy-5-(methylamino)cyclohexyl] ester IUPAC Name: [2-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-4-hydroxy-6-methoxy-5-(methylamino)cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [2-amino-3-[3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-methoxy-5-(methylamino)cyclohexyl] ester Formula: C16H34N4O7S MolecularWeight: 426.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(C(O1)OC2C(C(C(C(C2O)NC)OC)OS(=O)(=O)C)N)N)N

Isomeric SMILES

CC(C1CCC(C(O1)OC2C(C(C(C(C2O)NC)OC)OS(=O)(=O)C)N)N)N

InChI

InChI=1S/C16H34N4O7S/c1-7(17)9-6-5-8(18)16(25-9)26-13-10(19)14(27-28(4,22)23)15(24-3)11(20-2)12(13)21/h7-16,20-21H,5-6,17-19H2,1-4H3