N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H21N3O3S4 MolecularWeight: 479.65904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S4/c1-27-16-6-4-14(5-7-16)17-13-29-20(21-17)22-19(24)15-8-10-23(11-9-15)30(25,26)18-3-2-12-28-18/h2-7,12-13,15H,8-11H2,1H3,(H,21,22,24)