[4-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclobutylcarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2CCC2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2CCC2

InChI

InChI=1S/C19H30N2O4S/c1-15(2)26(23,24)25-18-10-8-16(9-11-18)14-21(13-12-20(3)4)19(22)17-6-5-7-17/h8-11,15,17H,5-7,12-14H2,1-4H3