N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H22ClFN4O4S MolecularWeight: 456.918783

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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=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClFN4O4S/c1-22-8-10-24(11-9-22)30(28,29)14-6-7-18(19(12-14)25(26)27)23(2)13-15-16(20)4-3-5-17(15)21/h3-7,12H,8-11,13H2,1-2H3