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

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (3-fluoro-4-methoxy-benzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H25FN4O5S MolecularWeight: 452.499703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O5S/c1-22-8-10-24(11-9-22)31(28,29)16-5-6-18(19(13-16)25(26)27)23(2)14-15-4-7-20(30-3)17(21)12-15/h4-7,12-13H,8-11,14H2,1-3H3