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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

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