[3-[[(4-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-ethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-ethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

InChI

InChI=1S/C23H26N2O5S/c1-3-18-10-12-20(13-11-18)24-23(26)25(17-22-9-6-14-29-22)16-19-7-5-8-21(15-19)30-31(27,28)4-2/h5-15H,3-4,16-17H2,1-2H3,(H,24,26)