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

Systemtic Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-14-7-10-16(11-8-14)31(27,28)25-13-5-6-17(25)21(26)23-22-24(3)19-18(29-4)12-9-15(2)20(19)30-22/h7-12,17H,5-6,13H2,1-4H3