1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-15-8-9-18(14-16(15)2)30(27,28)25-12-10-17(11-13-25)21(26)23-22-24(3)19-6-4-5-7-20(19)29-22/h4-9,14,17H,10-13H2,1-3H3