[4-[[butyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(m-tolylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(3-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(m-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C20H26N2O4S/c1-4-5-13-22(20(23)21-18-8-6-7-16(2)14-18)15-17-9-11-19(12-10-17)26-27(3,24)25/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)