2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S3/c21-14-7-8-18-17(11-14)23-20(29-18)28-13-19(25)22-15-5-4-6-16(12-15)30(26,27)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10,13H2,(H,22,25)