butan-1-amine; N-[4-(2-chloranylphenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]ethanamide

Systemtic Name: butan-1-amine; N-[4-(2-chloranylphenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]ethanamide Openeye Name: butan-1-amine; N-[4-(2-chlorophenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]acetamide CAS Name: 1-butanamine; N-[4-(2-chlorophenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]acetamide IUPAC Name: butan-1-amine; N-[4-(2-chlorophenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]acetamide Traditional Name: butylamine; N-[4-(2-chlorophenoxy)-2-nitro-5-(sulfamoylmethyl)phenyl]acetamide Formula: C19H25ClN4O6S MolecularWeight: 472.943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC(=O)NC1=C(C=C(C(=C1)CS(=O)(=O)N)OC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN.CC(=O)NC1=C(C=C(C(=C1)CS(=O)(=O)N)OC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN3O6S.C4H11N/c1-9(20)18-12-6-10(8-26(17,23)24)15(7-13(12)19(21)22)25-14-5-3-2-4-11(14)16;1-2-3-4-5/h2-7H,8H2,1H3,(H,18,20)(H2,17,23,24);2-5H2,1H3