(3S)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2-ethyl-3-benzofuranyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N2O4S2/c1-3-19-18(17-9-4-5-10-20(17)28-19)15-23(2)22(25)16-8-6-12-24(14-16)30(26,27)21-11-7-13-29-21/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3/t16-/m0/s1