[4-chloranyl-2-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(isopropyl)amino]methyl]-4-chloro-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(propan-2-yl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(propan-2-yl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(isopropyl)amino]methyl]-4-chloro-phenyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-13(2)23(15(4)25)12-16-11-17(21)5-10-20(16)28-29(26,27)19-8-6-18(7-9-19)22-14(3)24/h5-11,13H,12H2,1-4H3,(H,22,24)