(2R)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-N-propyl-propanamide

Systemtic Name: (2R)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-N-propyl-propanamide Openeye Name: (2R)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-N-propyl-propanamide CAS Name: (2R)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-propylpropanamide IUPAC Name: (2R)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-propylpropanamide Traditional Name: (2R)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-N-propyl-propionamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCCNC(=O)[C@@H](C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-4-5-15-13(18)9(3)16-23(21,22)10-6-11(14)8(2)12(7-10)17(19)20/h6-7,9,16H,4-5H2,1-3H3,(H,15,18)/t9-/m1/s1