(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C20H25ClN4O4S2 MolecularWeight: 485.0199

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H25ClN4O4S2/c21-19-16(22-23-30-19)14-29-20(26)15-7-8-17(24-9-3-1-4-10-24)18(13-15)31(27,28)25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14H2