[4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,4-dimethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3)C

InChI

InChI=1S/C22H24N2O5S/c1-16-6-9-19(13-17(16)2)23-22(25)24(15-21-5-4-12-28-21)14-18-7-10-20(11-8-18)29-30(3,26)27/h4-13H,14-15H2,1-3H3,(H,23,25)