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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-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=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C20H21N3O3S3/c1-13-8-10-14(11-9-13)29(25,26)23-12-4-5-15(23)19(24)22-20-21-18-16(27-2)6-3-7-17(18)28-20/h3,6-11,15H,4-5,12H2,1-2H3,(H,21,22,24)