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

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S2/c1-3-23-18-13-15(25(27)28)8-11-19(18)31-21(23)22-20(26)17-5-4-12-24(17)32(29,30)16-9-6-14(2)7-10-16/h6-11,13,17H,3-5,12H2,1-2H3