N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C24H23N3O3S3 MolecularWeight: 497.65272

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O3S3/c1-31-18-7-9-19(10-8-18)33(29,30)27-14-12-17(13-15-27)23(28)26-24-25-22-20-5-3-2-4-16(20)6-11-21(22)32-24/h2-11,17H,12-15H2,1H3,(H,25,26,28)