N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3S2/c1-18-8-9-22(19(2)16-18)23-17-32-25(26-23)27-24(29)21-10-13-28(14-11-21)33(30,31)15-12-20-6-4-3-5-7-20/h3-9,12,15-17,21H,10-11,13-14H2,1-2H3,(H,26,27,29)/b15-12+