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

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-tosyl-isonipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CC=CC=C4S3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-15-7-9-17(10-8-15)29(26,27)24-13-11-16(12-14-24)20(25)22-21-23(2)18-5-3-4-6-19(18)28-21/h3-10,16H,11-14H2,1-2H3