[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [4-(1,3,4-oxadiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [4-(1,3,4-oxadiazol-2-yl)phenyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=NN=CO4)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=NN=CO4)Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-14-3-2-10-25(12-14)31(27,28)19-11-16(6-9-18(19)22)21(26)30-17-7-4-15(5-8-17)20-24-23-13-29-20/h4-9,11,13-14H,2-3,10,12H2,1H3