2-[1-[methyl(3-morpholin-4-ylpropyl)carbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-[methyl(3-morpholin-4-ylpropyl)carbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-[methyl(3-morpholinopropyl)carbamoyl]-2-piperidyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-[[methyl-[3-(4-morpholinyl)propyl]amino]-oxomethyl]-2-piperidinyl]ethyl ester IUPAC Name: 2-[1-[methyl(3-morpholin-4-ylpropyl)carbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-[methyl(3-morpholinopropyl)carbamoyl]-2-piperidyl]ethyl ester Formula: C23H37N3O5S MolecularWeight: 467.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)N(C)CCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)N(C)CCCN3CCOCC3

InChI

InChI=1S/C23H37N3O5S/c1-20-7-9-22(10-8-20)32(28,29)31-17-11-21-6-3-4-14-26(21)23(27)24(2)12-5-13-25-15-18-30-19-16-25/h7-10,21H,3-6,11-19H2,1-2H3