(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H21N3O5S2/c1-14-6-9-23(10-7-14)30(25,26)17-4-2-15(3-5-17)20(24)27-12-18-21-19(22-28-18)16-8-11-29-13-16/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3