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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C19H25N3O5S/c1-13(2)18-20-17(27-21-18)12-26-19(23)15-7-9-16(10-8-15)28(24,25)22-11-5-4-6-14(22)3/h7-10,13-14H,4-6,11-12H2,1-3H3