N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c26-21(18-9-11-25(12-10-18)31(28,29)20-8-3-13-30-20)23-15-16-4-1-7-19(14-16)24-22(27)17-5-2-6-17/h1,3-4,7-8,13-14,17-18H,2,5-6,9-12,15H2,(H,23,26)(H,24,27)