N1,N4-bis(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]terephthalamide CAS Name: N1,N4-bis[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Traditional Name: N,N'-bis(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)terephthalamide Formula: C32H32N6O6S4 MolecularWeight: 724.89308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=NC6=C(S5)C=C(C=C6)S(=O)(=O)N7CCCCC7

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=NC6=C(S5)C=C(C=C6)S(=O)(=O)N7CCCCC7

InChI

InChI=1S/C32H32N6O6S4/c39-29(35-31-33-25-13-11-23(19-27(25)45-31)47(41,42)37-15-3-1-4-16-37)21-7-9-22(10-8-21)30(40)36-32-34-26-14-12-24(20-28(26)46-32)48(43,44)38-17-5-2-6-18-38/h7-14,19-20H,1-6,15-18H2,(H,33,35,39)(H,34,36,40)