(2-chloranyl-5-methyl-phenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18ClNO4S2/c1-12-4-5-14(18)15(11-12)23-17(20)13-6-8-19(9-7-13)25(21,22)16-3-2-10-24-16/h2-5,10-11,13H,6-9H2,1H3