[[2-methyl-2-[(4-methylphenyl)sulfonyloxyamino]propyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [[2-methyl-2-[(4-methylphenyl)sulfonyloxyamino]propyl]amino] 4-methylbenzenesulfonate Openeye Name: [[2-methyl-2-(p-tolylsulfonyloxyamino)propyl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[2-methyl-2-[(4-methylphenyl)sulfonyloxyamino]propyl]amino] ester IUPAC Name: [[2-methyl-2-[(4-methylphenyl)sulfonyloxyamino]propyl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-methyl-2-(tosyloxyamino)propyl]amino] ester Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONCC(C)(C)NOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONCC(C)(C)NOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H24N2O6S2/c1-14-5-9-16(10-6-14)27(21,22)25-19-13-18(3,4)20-26-28(23,24)17-11-7-15(2)8-12-17/h5-12,19-20H,13H2,1-4H3