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

Systemtic Name: [4-chloranyl-2-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-methylpropanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-methyl-1-oxopropyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isobutyryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C24H29ClN2O6S MolecularWeight: 509.01486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)C(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H29ClN2O6S/c1-16(2)24(29)27(15-21-5-4-12-32-21)14-18-13-19(25)6-11-23(18)33-34(30,31)22-9-7-20(8-10-22)26-17(3)28/h6-11,13,16,21H,4-5,12,14-15H2,1-3H3,(H,26,28)