(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C21H21ClN2O5S2/c1-14-18(23-20(29-14)19-6-5-11-30-19)13-28-21(25)16-12-15(7-8-17(16)22)31(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3