N-(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C20H20ClN3O3S2/c1-13-5-8-15(9-6-13)29(26,27)24-11-3-4-17(24)19(25)22-20-23(2)16-10-7-14(21)12-18(16)28-20/h5-10,12,17H,3-4,11H2,1-2H3