(E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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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)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5S2/c25-20(8-4-14-3-7-17-18(11-14)29-13-28-17)23-21-22-16-6-5-15(12-19(16)30-21)31(26,27)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13H2,(H,22,23,25)/b8-4+