4-methoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-methoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Openeye Name: 4-methoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide CAS Name: 4-methoxy-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Traditional Name: 4-methoxy-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Formula: C18H19N3O5S3 MolecularWeight: 453.55556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H19N3O5S3/c1-26-13-4-6-14(7-5-13)28(22,23)20-18-19-16-9-8-15(12-17(16)27-18)29(24,25)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,19,20)