(2-chloranyl-5-methyl-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]nipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C18H20ClNO4S2/c1-12-5-7-15(19)16(10-12)24-18(21)14-4-3-9-20(11-14)26(22,23)17-8-6-13(2)25-17/h5-8,10,14H,3-4,9,11H2,1-2H3