[1-[4-[ethanoyl(methyl)amino]but-2-ynyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-[4-[ethanoyl(methyl)amino]but-2-ynyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-[4-[acetyl(methyl)amino]but-2-ynyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[4-[acetyl(methyl)amino]but-2-ynyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[4-[acetyl(methyl)amino]but-2-ynyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[4-[acetyl(methyl)amino]but-2-ynyl]pyrrolidin-3-yl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(C2)CC#CCN(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(C2)CC#CCN(C)C(=O)C

InChI

InChI=1S/C18H24N2O4S/c1-15-6-8-18(9-7-15)25(22,23)24-17-10-13-20(14-17)12-5-4-11-19(3)16(2)21/h6-9,17H,10-14H2,1-3H3