N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c1-2-17-8-9-20-21(16-17)30-23(24-20)25-22(27)19-10-13-26(14-11-19)31(28,29)15-12-18-6-4-3-5-7-18/h3-9,12,15-16,19H,2,10-11,13-14H2,1H3,(H,24,25,27)/b15-12+