1-(4-methylphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Traditional Name: 1-tosyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-14-7-9-17(10-8-14)30(27,28)25-11-5-6-18(25)21(26)23-22-24(4)19-13-15(2)12-16(3)20(19)29-22/h7-10,12-13,18H,5-6,11H2,1-4H3