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

Systemtic Name: N-[2-(phenethylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(phenethylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[oxo-(phenethylamino)methyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(phenethylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(phenethylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S2/c29-24(20-10-6-16-28(18-20)34(31,32)23-13-7-17-33-23)27-22-12-5-4-11-21(22)25(30)26-15-14-19-8-2-1-3-9-19/h1-5,7-9,11-13,17,20H,6,10,14-16,18H2,(H,26,30)(H,27,29)