[2-[dodecyl(methyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[dodecyl(methyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[dodecyl(methyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[dodecyl(methyl)amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[dodecyl(methyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[lauryl(methyl)carbamoyl]benzyl] ester Formula: C28H41NO4S MolecularWeight: 487.69444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)C(=O)C1=CC=CC=C1COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCN(C)C(=O)C1=CC=CC=C1COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C28H41NO4S/c1-4-5-6-7-8-9-10-11-12-15-22-29(3)28(30)27-17-14-13-16-25(27)23-33-34(31,32)26-20-18-24(2)19-21-26/h13-14,16-21H,4-12,15,22-23H2,1-3H3