N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H22ClN5O6S MolecularWeight: 483.92588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN5O6S/c1-21-7-9-23(10-8-21)32(30,31)16-4-6-18(19(12-16)25(28)29)22(2)13-14-11-15(24(26)27)3-5-17(14)20/h3-6,11-12H,7-10,13H2,1-2H3