N-[2-(butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[butylamino(oxo)methyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-2-3-12-22-21(26)17-9-4-5-10-18(17)23-20(25)16-8-6-13-24(15-16)30(27,28)19-11-7-14-29-19/h4-5,7,9-11,14,16H,2-3,6,8,12-13,15H2,1H3,(H,22,26)(H,23,25)