N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H21N3O7S2/c1-30-17-9-8-14(31(26,27)22-10-4-5-11-22)12-16(17)21-19(24)13-23-20(25)15-6-2-3-7-18(15)32(23,28)29/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)