5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C24H25FN4O5S MolecularWeight: 500.542503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)F

InChI

InChI=1S/C24H25FN4O5S/c1-34-24-10-8-20(16-21(24)25)35(32,33)28-13-11-27(12-14-28)19-7-9-23(29(30)31)22(15-19)26-17-18-5-3-2-4-6-18/h2-10,15-16,26H,11-14,17H2,1H3