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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

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