4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(2-ethylpiperidino)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C22H25N3O3S3/c1-3-16-6-4-5-13-25(16)31(27,28)18-10-7-15(8-11-18)21(26)24-22-23-19-12-9-17(29-2)14-20(19)30-22/h7-12,14,16H,3-6,13H2,1-2H3,(H,23,24,26)