[3-azanyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-azanyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Openeye Name: [3-amino-2-(p-tolylsulfonyloxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-amino-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester IUPAC Name: [3-amino-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-amino-2-(tosyloxymethyl)butyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C)N

InChI

InChI=1S/C19H25NO6S2/c1-14-4-8-18(9-5-14)27(21,22)25-12-17(16(3)20)13-26-28(23,24)19-10-6-15(2)7-11-19/h4-11,16-17H,12-13,20H2,1-3H3