N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

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