N-(4-bromanyl-3-methyl-phenyl)-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C16H17BrN4O5S MolecularWeight: 457.29898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN4O5S/c1-10-8-11(2-4-13(10)17)20-16(22)6-7-19-14-5-3-12(27(18,25)26)9-15(14)21(23)24/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H2,18,25,26)