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

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: ethyl-(3-fluorobenzyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H25FN4O4S MolecularWeight: 436.500303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O4S/c1-3-23(15-16-5-4-6-17(21)13-16)19-8-7-18(14-20(19)25(26)27)30(28,29)24-11-9-22(2)10-12-24/h4-8,13-14H,3,9-12,15H2,1-2H3