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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: [5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]-2-nitro-phenyl]-homoveratryl-amine Formula: C27H31FN4O7S MolecularWeight: 574.621043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)F)[N+](=O)[O-])OC

InChI

InChI=1S/C27H31FN4O7S/c1-37-25-9-6-21(18-22(25)28)40(35,36)31-14-12-30(13-15-31)20-5-7-24(32(33)34)23(17-20)29-11-10-19-4-8-26(38-2)27(16-19)39-3/h4-9,16-18,29H,10-15H2,1-3H3