2-(4-chlorophenyl)sulfanylethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O4S/c21-16-5-7-17(8-6-16)28-13-12-27-20(24)15-4-9-18(19(14-15)23(25)26)22-10-2-1-3-11-22/h4-9,14H,1-3,10-13H2