N-(3,4-diethoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3,4-diethoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3,4-diethoxyphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(3,4-diethoxyphenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3,4-diethoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3,4-diethoxyphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C)OCC

InChI

InChI=1S/C21H28N2O5S2/c1-4-27-18-10-9-17(13-19(18)28-5-2)22-21(24)16-7-6-12-23(14-16)30(25,26)20-11-8-15(3)29-20/h8-11,13,16H,4-7,12,14H2,1-3H3,(H,22,24)