2-[1-[4-(dimethylamino)butanoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-[4-(dimethylamino)butanoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-[4-(dimethylamino)butanoyl]-2-piperidyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-[4-(dimethylamino)-1-oxobutyl]-2-piperidinyl]ethyl ester IUPAC Name: 2-[1-[4-(dimethylamino)butanoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-[4-(dimethylamino)butanoyl]-2-piperidyl]ethyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)CCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)CCCN(C)C

InChI

InChI=1S/C20H32N2O4S/c1-17-9-11-19(12-10-17)27(24,25)26-16-13-18-7-4-5-15-22(18)20(23)8-6-14-21(2)3/h9-12,18H,4-8,13-16H2,1-3H3