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

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-11-15(12-10-14)28(25,26)23-13-5-7-17(23)19(24)21-20-22(2)16-6-3-4-8-18(16)27-20/h3-4,6,8-12,17H,5,7,13H2,1-2H3