N-(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-tosyl-nipecotamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H22ClN3O3S2/c1-14-5-8-17(9-6-14)30(27,28)25-11-3-4-15(13-25)20(26)23-21-24(2)18-10-7-16(22)12-19(18)29-21/h5-10,12,15H,3-4,11,13H2,1-2H3