N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,7-dimethyl-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:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

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