N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(2,4-dimethylphenoxy)ethyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N4O5S/c1-16-4-7-21(17(2)14-16)30-13-8-22-19-6-5-18(15-20(19)25(26)27)31(28,29)24-11-9-23(3)10-12-24/h4-7,14-15,22H,8-13H2,1-3H3