N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-tosyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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