N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC(=C4C)Cl

InChI

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