N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(C=CC(=C4S3)OC)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(C=CC(=C4S3)OC)OC)C

InChI

InChI=1S/C22H25N3O5S2/c1-14-7-9-15(10-8-14)32(27,28)25-13-5-6-16(25)21(26)23-22-24(2)19-17(29-3)11-12-18(30-4)20(19)31-22/h7-12,16H,5-6,13H2,1-4H3