[5-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,4-dimethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,4-dimethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-16-7-9-19(12-17(16)2)24-23(26)25(15-20-6-5-11-30-20)14-18-8-10-21(29-3)22(13-18)31-32(4,27)28/h5-13H,14-15H2,1-4H3,(H,24,26)