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

Systemtic Name: [5-[(furan-2-ylmethylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[(2-furylmethylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[(2-furanylmethylamino)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(furan-2-ylmethylamino)methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[(2-furfurylamino)methyl]-2-methoxy-phenyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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