N-(3-chloranyl-2,6-diethyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H27ClN2O3S2 MolecularWeight: 455.03368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H27ClN2O3S2/c1-4-15-9-10-18(22)17(5-2)20(15)23-21(25)16-7-6-12-24(13-16)29(26,27)19-11-8-14(3)28-19/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,25)