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

Systemtic Name: N1,N4-bis(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)terephthalamide CAS Name: N1,N4-bis[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Traditional Name: N,N'-bis(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)terephthalamide Formula: C30H28N6O6S4 MolecularWeight: 696.83992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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)N7CCCC7

Isomeric SMILES

C1CCN(C1)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)N7CCCC7

InChI

InChI=1S/C30H28N6O6S4/c37-27(33-29-31-23-11-9-21(17-25(23)43-29)45(39,40)35-13-1-2-14-35)19-5-7-20(8-6-19)28(38)34-30-32-24-12-10-22(18-26(24)44-30)46(41,42)36-15-3-4-16-36/h5-12,17-18H,1-4,13-16H2,(H,31,33,37)(H,32,34,38)