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

Systemtic Name: [2-[methyl(octadecyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[methyl(octadecyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[methyl(octadecyl)amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[methyl(octadecyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl(stearyl)carbamoyl]benzyl] ester Formula: C34H53NO4S MolecularWeight: 571.85392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H53NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-35(3)34(36)33-23-20-19-22-31(33)29-39-40(37,38)32-26-24-30(2)25-27-32/h19-20,22-27H,4-18,21,28-29H2,1-3H3