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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H23FN4O4S/c1-22-9-11-23(12-10-22)29(27,28)17-5-6-18(19(14-17)24(25)26)21-8-7-15-3-2-4-16(20)13-15/h2-6,13-14,21H,7-12H2,1H3