N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C20H19Cl2N3O3S2 MolecularWeight: 484.41916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S2/c1-12-2-4-14(5-3-12)30(27,28)25-10-8-13(9-11-25)19(26)24-20-23-18-16(29-20)7-6-15(21)17(18)22/h2-7,13H,8-11H2,1H3,(H,23,24,26)