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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (4-fluoro-3-methyl-benzyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H23FN4O4S MolecularWeight: 422.473723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])F

InChI

InChI=1S/C19H23FN4O4S/c1-14-11-15(3-5-17(14)20)13-21-18-6-4-16(12-19(18)24(25)26)29(27,28)23-9-7-22(2)8-10-23/h3-6,11-12,21H,7-10,13H2,1-2H3