N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinosulfonyl-benzamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S3/c1-27-20-22-17-10-7-15(13-18(17)28-20)21-19(24)14-5-8-16(9-6-14)29(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)