(3-chloranyl-1-benzothiophen-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c1-12-19(13(2)28-22-12)30(25,26)23-9-7-14(8-10-23)20(24)27-11-17-18(21)15-5-3-4-6-16(15)29-17/h3-6,14H,7-11H2,1-2H3