1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2-methyl-5-nitro-phenyl)amino]ethanone

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2-methyl-5-nitro-phenyl)amino]ethanone Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-5-nitro-anilino)ethanone CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-(2-methyl-5-nitroanilino)ethanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-5-nitroanilino)ethanone Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-2-(2-methyl-5-nitro-anilino)ethanone Formula: C19H21FN4O5S MolecularWeight: 436.457243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21FN4O5S/c1-14-5-6-16(24(26)27)12-18(14)21-13-19(25)22-7-9-23(10-8-22)30(28,29)17-4-2-3-15(20)11-17/h2-6,11-12,21H,7-10,13H2,1H3