S-(4-nitrophenyl) 4-oxidanylidene-4-(4-piperidin-1-ylpiperidin-1-yl)butanethioate

Systemtic Name: S-(4-nitrophenyl) 4-oxidanylidene-4-(4-piperidin-1-ylpiperidin-1-yl)butanethioate Openeye Name: S-(4-nitrophenyl) 4-oxo-4-[4-(1-piperidyl)-1-piperidyl]butanethioate CAS Name: 4-oxo-4-[4-(1-piperidinyl)-1-piperidinyl]butanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanethioate Traditional Name: 4-keto-4-(4-piperidinopiperidino)butanethioic acid S-(4-nitrophenyl) ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c24-19(22-14-10-16(11-15-22)21-12-2-1-3-13-21)8-9-20(25)28-18-6-4-17(5-7-18)23(26)27/h4-7,16H,1-3,8-15H2