[4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[(4-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O6S/c1-27-18-11-7-17(8-12-18)22-21(24)23(15-20-4-3-13-28-20)14-16-5-9-19(10-6-16)29-30(2,25)26/h3-13H,14-15H2,1-2H3,(H,22,24)