[4-[[3-methoxypropyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(o-tolylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[(2-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(o-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-16-7-4-5-8-19(16)21-20(23)22(13-6-14-26-2)15-17-9-11-18(12-10-17)27-28(3,24)25/h4-5,7-12H,6,13-15H2,1-3H3,(H,21,23)