(3S)-1-(3-chloranyl-4-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C20H18ClN3O4S2 MolecularWeight: 463.95762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H18ClN3O4S2/c1-11-3-4-13(8-15(11)21)24-10-12(7-18(24)25)19(26)23-20-22-16-6-5-14(30(2,27)28)9-17(16)29-20/h3-6,8-9,12H,7,10H2,1-2H3,(H,22,23,26)/t12-/m0/s1