4-[4-[1-(2-diethylaminoethyl)-5-oxidanylidene-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-[1-(2-diethylaminoethyl)-5-oxidanylidene-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[4-[1-(2-diethylaminoethyl)-5-oxo-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-[1-(2-diethylaminoethyl)-5-oxo-2-pyrrolidinyl]phenyl]butyl ester IUPAC Name: 4-[4-[1-(2-diethylaminoethyl)-5-oxopyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-[1-(2-diethylaminoethyl)-5-keto-pyrrolidin-2-yl]phenyl]butyl ester Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(CCC1=O)C2=CC=C(C=C2)CCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)CCN1C(CCC1=O)C2=CC=C(C=C2)CCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H38N2O4S/c1-4-28(5-2)19-20-29-26(17-18-27(29)30)24-13-11-23(12-14-24)8-6-7-21-33-34(31,32)25-15-9-22(3)10-16-25/h9-16,26H,4-8,17-21H2,1-3H3