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

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C3=NN=C(O3)C4=CC=CS4)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C3=NN=C(O3)C4=CC=CS4)Cl

InChI

InChI=1S/C21H22ClN3O5S2/c1-13-5-3-9-25(12-13)32(27,28)18-11-15(7-8-16(18)22)21(26)29-14(2)19-23-24-20(30-19)17-6-4-10-31-17/h4,6-8,10-11,13-14H,3,5,9,12H2,1-2H3