N-[2-(4-tert-butylphenoxy)ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-21(2,3)15-4-6-16(7-5-15)31-13-12-24-20(26)10-11-23-18-9-8-17(32(22,29)30)14-19(18)25(27)28/h4-9,14,23H,10-13H2,1-3H3,(H,24,26)(H2,22,29,30)