2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloro-2-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(5-chloro-2-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloro-2-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(5-chloro-2-nitro-phenyl)acetamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17ClN4O3S/c20-12-7-8-15(24(26)27)14(10-12)21-18(25)11-23-9-3-5-16(23)19-22-13-4-1-2-6-17(13)28-19/h1-2,4,6-8,10,16H,3,5,9,11H2,(H,21,25)/t16-/m1/s1