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

Systemtic Name: [4-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3CCC3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3CCC3

InChI

InChI=1S/C18H25NO4S/c1-13(2)24(21,22)23-17-10-6-14(7-11-17)12-19(16-8-9-16)18(20)15-4-3-5-15/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3