[1-cyclopropyl-3-(methylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [1-cyclopropyl-3-(methylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [1-cyclopropyl-3-(methylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyclopropyl-3-(methylamino)propyl] ester IUPAC Name: [1-cyclopropyl-3-(methylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-cyclopropyl-3-(methylamino)propyl] ester Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCNC)C2CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCNC)C2CC2

InChI

InChI=1S/C14H21NO3S/c1-11-3-7-13(8-4-11)19(16,17)18-14(9-10-15-2)12-5-6-12/h3-4,7-8,12,14-15H,5-6,9-10H2,1-2H3