2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-propylacetamide IUPAC Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-propylacetamide Traditional Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propyl-acetamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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