N-(5-chloranyl-2-methyl-phenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C21H22ClN3O3S3 MolecularWeight: 496.06568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22ClN3O3S3/c1-14-5-6-15(22)11-18(14)23-20(26)13-29-21-24-17-8-7-16(12-19(17)30-21)31(27,28)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,26)