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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C20H21N3O4S3/c1-27-14-6-8-15(9-7-14)30(25,26)23-11-3-4-17(23)19(24)21-13-5-10-16-18(12-13)29-20(22-16)28-2/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,24)