[4-chloranyl-2-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-4-chloro-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(2-oxolanylmethyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(tetrahydrofurfuryl)amino]methyl]-4-chloro-phenyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3CCCO3)C(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3CCCO3)C(=O)C

InChI

InChI=1S/C22H25ClN2O6S/c1-15(26)24-19-6-8-21(9-7-19)32(28,29)31-22-10-5-18(23)12-17(22)13-25(16(2)27)14-20-4-3-11-30-20/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,24,26)