[4-[1-azanylethyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]phenyl]methyl methanesulfonate

Systemtic Name: [4-[1-azanylethyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]phenyl]methyl methanesulfonate Openeye Name: [4-[1-aminoethyl(tert-butoxycarbonyl)carbamoyl]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-[[1-aminoethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-[1-aminoethyl(tert-butoxycarbonyl)carbamoyl]benzyl] ester Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)N(C(=O)C1=CC=C(C=C1)COS(=O)(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(N)N(C(=O)C1=CC=C(C=C1)COS(=O)(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N2O6S/c1-11(17)18(15(20)24-16(2,3)4)14(19)13-8-6-12(7-9-13)10-23-25(5,21)22/h6-9,11H,10,17H2,1-5H3