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

Systemtic Name: 3-fluoranyl-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]aniline Openeye Name: 3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]aniline CAS Name: 3-fluoro-4-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]aniline IUPAC Name: 3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]aniline Traditional Name: (3-fluoro-4-methyl-phenyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])F

InChI

InChI=1S/C18H21FN4O4S/c1-13-3-4-14(11-16(13)19)20-17-6-5-15(12-18(17)23(24)25)28(26,27)22-9-7-21(2)8-10-22/h3-6,11-12,20H,7-10H2,1-2H3