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

Systemtic Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(isobutylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(isobutylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)13-22-21(26)17-8-3-4-9-18(17)23-20(25)16-7-5-11-24(14-16)30(27,28)19-10-6-12-29-19/h3-4,6,8-10,12,15-16H,5,7,11,13-14H2,1-2H3,(H,22,26)(H,23,25)