[4-chloranyl-2-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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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(CCN(C)C)C(=O)C3CCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCN(C)C)C(=O)C3CCC3

InChI

InChI=1S/C24H30ClN3O5S/c1-17(29)26-21-8-10-22(11-9-21)34(31,32)33-23-12-7-20(25)15-19(23)16-28(14-13-27(2)3)24(30)18-5-4-6-18/h7-12,15,18H,4-6,13-14,16H2,1-3H3,(H,26,29)