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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-16-23-20-8-7-19(15-21(20)29-16)24-22(26)18-9-12-25(13-10-18)30(27,28)14-11-17-5-3-2-4-6-17/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,24,26)/b14-11+