(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)Cl

InChI

InChI=1S/C20H20ClN3O5S2/c1-13-3-2-7-24(10-13)31(26,27)17-9-14(4-5-16(17)21)20(25)28-11-18-22-19(29-23-18)15-6-8-30-12-15/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3