(2R)-N-(4-benzamidocyclohexyl)-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(4-benzamidocyclohexyl)-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(4-benzamidocyclohexyl)-1-(4-chloro-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-(4-benzamidocyclohexyl)-1-(4-chloro-3-nitrophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(4-benzamidocyclohexyl)-1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-(4-benzamidocyclohexyl)-1-(4-chloro-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C24H27ClN4O6S MolecularWeight: 535.01238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O6S/c25-20-13-12-19(15-22(20)29(32)33)36(34,35)28-14-4-7-21(28)24(31)27-18-10-8-17(9-11-18)26-23(30)16-5-2-1-3-6-16/h1-3,5-6,12-13,15,17-18,21H,4,7-11,14H2,(H,26,30)(H,27,31)/t17?,18?,21-/m1/s1