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

Systemtic Name: [3-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-18(28)25-21-10-12-23(13-11-21)33(30,31)32-22-9-4-6-19(16-22)17-27(15-14-26(2)3)24(29)20-7-5-8-20/h4,6,9-13,16,20H,5,7-8,14-15,17H2,1-3H3,(H,25,28)