N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-phenylthiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-phenyl-4-thiazolyl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-phenylthiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)sulfonyl-isonipecotamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3O3S2/c1-18-15-20(3)24(16-19(18)2)34(31,32)29-13-10-21(11-14-29)25(30)27-12-9-23-17-33-26(28-23)22-7-5-4-6-8-22/h4-8,15-17,21H,9-14H2,1-3H3,(H,27,30)