N-[4-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C21H25N5O5S/c1-15(27)22-16-4-7-19(8-5-16)32(30,31)25-12-10-24(11-13-25)18-6-9-21(26(28)29)20(14-18)23-17-2-3-17/h4-9,14,17,23H,2-3,10-13H2,1H3,(H,22,27)