N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H21N3O4S/c1-14-12-15(22-10-4-5-11-22)8-9-17(14)21-19(24)13-23-20(25)16-6-2-3-7-18(16)28(23,26)27/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)