4-[4-[1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-[1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[4-[1-(3-morpholinopropyl)-5-oxo-pyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-[1-[3-(4-morpholinyl)propyl]-5-oxo-2-pyrrolidinyl]phenyl]butyl ester IUPAC Name: 4-[4-[1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidin-2-yl]phenyl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-[5-keto-1-(3-morpholinopropyl)pyrrolidin-2-yl]phenyl]butyl ester Formula: C28H38N2O5S MolecularWeight: 514.67672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)C3CCC(=O)N3CCCN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)C3CCC(=O)N3CCCN4CCOCC4

InChI

InChI=1S/C28H38N2O5S/c1-23-6-12-26(13-7-23)36(32,33)35-20-3-2-5-24-8-10-25(11-9-24)27-14-15-28(31)30(27)17-4-16-29-18-21-34-22-19-29/h6-13,27H,2-5,14-22H2,1H3