2-(4-methoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-methoxyphenyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-methoxyphenyl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-27-15-6-4-14(5-7-15)12-19(24)22-20-21-17-9-8-16(13-18(17)28-20)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,22,24)