4-[4-(5-oxidanylidenepyrrolidin-2-yl)phenyl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-(5-oxidanylidenepyrrolidin-2-yl)phenyl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[4-(5-oxopyrrolidin-2-yl)phenyl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-(5-oxo-2-pyrrolidinyl)phenyl]butyl ester IUPAC Name: 4-[4-(5-oxopyrrolidin-2-yl)phenyl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-(5-ketopyrrolidin-2-yl)phenyl]butyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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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)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)C3CCC(=O)N3

InChI

InChI=1S/C21H25NO4S/c1-16-5-11-19(12-6-16)27(24,25)26-15-3-2-4-17-7-9-18(10-8-17)20-13-14-21(23)22-20/h5-12,20H,2-4,13-15H2,1H3,(H,22,23)