N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[3-[(2-methyl-1-imidazolyl)methyl]phenyl]methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [3-[(2-methylimidazol-1-yl)methyl]benzyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C23H28N6O4S MolecularWeight: 484.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4S/c1-18-24-8-9-27(18)17-20-5-3-4-19(14-20)16-25-22-7-6-21(15-23(22)29(30)31)34(32,33)28-12-10-26(2)11-13-28/h3-9,14-15,25H,10-13,16-17H2,1-2H3