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

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O6S2/c1-3-23-18-13-14(25(27)28)6-11-19(18)32-21(23)22-20(26)17-5-4-12-24(17)33(29,30)16-9-7-15(31-2)8-10-16/h6-11,13,17H,3-5,12H2,1-2H3