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

Systemtic Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[4-(propanoylamino)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylthiazol-4-yl)ethyl]-1-[4-(propanoylamino)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-methyl-4-thiazolyl)ethyl]-1-[4-(1-oxopropylamino)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[4-(propanoylamino)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-methylthiazol-4-yl)ethyl]-1-(4-propionamidophenyl)sulfonyl-isonipecotamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CSC(=N3)C

InChI

InChI=1S/C21H28N4O4S2/c1-3-20(26)24-17-4-6-19(7-5-17)31(28,29)25-12-9-16(10-13-25)21(27)22-11-8-18-14-30-15(2)23-18/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,27)(H,24,26)