N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: diethyl-[2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]benzyl]amine Formula: C23H33N5O4S MolecularWeight: 475.60422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4S/c1-4-26(5-2)18-20-9-7-6-8-19(20)17-24-22-11-10-21(16-23(22)28(29)30)33(31,32)27-14-12-25(3)13-15-27/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3