N-[2-(tert-butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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