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

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide 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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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