[4-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[2-furylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[2-furanylmethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[2-furfuryl(2-thenoyl)amino]methyl]phenyl] ester Formula: C25H22N2O6S2 MolecularWeight: 510.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H22N2O6S2/c1-18(28)26-20-8-12-23(13-9-20)35(30,31)33-21-10-6-19(7-11-21)16-27(17-22-4-2-14-32-22)25(29)24-5-3-15-34-24/h2-15H,16-17H2,1H3,(H,26,28)