S-(4-nitrophenyl) 5-oxidanylidene-5-(4-piperidin-1-ylpiperidin-1-yl)pentanethioate

Systemtic Name: S-(4-nitrophenyl) 5-oxidanylidene-5-(4-piperidin-1-ylpiperidin-1-yl)pentanethioate Openeye Name: S-(4-nitrophenyl) 5-oxo-5-[4-(1-piperidyl)-1-piperidyl]pentanethioate CAS Name: 5-oxo-5-[4-(1-piperidinyl)-1-piperidinyl]pentanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 5-oxo-5-(4-piperidin-1-ylpiperidin-1-yl)pentanethioate Traditional Name: 5-keto-5-(4-piperidinopiperidino)pentanethioic acid S-(4-nitrophenyl) ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)CCCC(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)CCCC(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O4S/c25-20(23-15-11-17(12-16-23)22-13-2-1-3-14-22)5-4-6-21(26)29-19-9-7-18(8-10-19)24(27)28/h7-10,17H,1-6,11-16H2