N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C18H20N4O7S MolecularWeight: 436.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-11(12-2-5-16-17(8-12)29-10-28-16)21-18(23)6-7-20-14-4-3-13(30(19,26)27)9-15(14)22(24)25/h2-5,8-9,11,20H,6-7,10H2,1H3,(H,21,23)(H2,19,26,27)