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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,6-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=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c1-16-14-17(2)21-20(15-16)30-23(24-21)25-22(27)19-8-11-26(12-9-19)31(28,29)13-10-18-6-4-3-5-7-18/h3-7,10,13-15,19H,8-9,11-12H2,1-2H3,(H,24,25,27)/b13-10+