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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

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