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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S2/c1-2-6-20-9-11-24(12-10-20)34(31,32)29-17-14-21(15-18-29)25(30)27-16-13-23-19-33-26(28-23)22-7-4-3-5-8-22/h3-5,7-12,19,21H,2,6,13-18H2,1H3,(H,27,30)