[3-[(furan-2-ylmethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[(2-furylmethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[(2-furanylmethylamino)methyl]phenyl] ester IUPAC Name: [3-[(furan-2-ylmethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[(2-furfurylamino)methyl]phenyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=CO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCC3=CC=CO3

InChI

InChI=1S/C20H20N2O5S/c1-15(23)22-17-7-9-20(10-8-17)28(24,25)27-18-5-2-4-16(12-18)13-21-14-19-6-3-11-26-19/h2-12,21H,13-14H2,1H3,(H,22,23)