1-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C20H21N3O3S3/c1-13-5-8-15(9-6-13)29(25,26)23-11-3-4-17(23)19(24)22-20-21-16-10-7-14(27-2)12-18(16)28-20/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,22,24)