N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O6S2/c1-3-22-17-13-14(23(25)26)6-11-18(17)30-20(22)21-19(24)5-4-12-31(27,28)16-9-7-15(29-2)8-10-16/h6-11,13H,3-5,12H2,1-2H3