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

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H17Cl2N3O3S2 MolecularWeight: 470.39258

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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(=C4Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O3S2/c1-11-4-6-12(7-5-11)29(26,27)24-10-2-3-14(24)18(25)23-19-22-17-15(28-19)9-8-13(20)16(17)21/h4-9,14H,2-3,10H2,1H3,(H,22,23,25)