1-(4-methylsulfanylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H22N4O5S4 MolecularWeight: 526.67248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O5S4/c1-30-14-2-4-15(5-3-14)33(28,29)24-10-8-13(9-11-24)19(25)23-20-22-17-7-6-16(32(21,26)27)12-18(17)31-20/h2-7,12-13H,8-11H2,1H3,(H2,21,26,27)(H,22,23,25)