2-chloranyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-piperidinosulfonyl-benzamide Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C20H20ClN3O3S3/c1-28-20-23-17-8-5-13(11-18(17)29-20)22-19(25)15-12-14(6-7-16(15)21)30(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)