2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-methyl-2-piperidinosulfonyl-phenyl)acetamide Formula: C21H22ClN3O3S3 MolecularWeight: 496.06568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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