N-[2-(butan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(sec-butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(sec-butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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