N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S2/c1-2-3-5-10-19-23-24-21(29-19)22-20(26)18-11-14-25(15-12-18)30(27,28)16-13-17-8-6-4-7-9-17/h4,6-9,13,16,18H,2-3,5,10-12,14-15H2,1H3,(H,22,24,26)/b16-13+