1-(5-methylthiophen-2-yl)sulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(5-methylthiophen-2-yl)sulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-[(5-methyl-2-thienyl)sulfonyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(5-methylthiophen-2-yl)sulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]-N-[1-(4-propionamidophenyl)ethyl]nipecotamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C22H29N3O4S2/c1-4-20(26)24-19-10-8-17(9-11-19)16(3)23-22(27)18-6-5-13-25(14-18)31(28,29)21-12-7-15(2)30-21/h7-12,16,18H,4-6,13-14H2,1-3H3,(H,23,27)(H,24,26)