5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline

Systemtic Name: 5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline Openeye Name: 5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline CAS Name: 5-[4-(2-dibenzofuranylsulfonyl)-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline IUPAC Name: 5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline Traditional Name: [5-(4-dibenzofuran-2-ylsulfonylpiperazino)-2-nitro-phenyl]-(1-phenylethyl)amine Formula: C30H28N4O5S MolecularWeight: 556.63212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C30H28N4O5S/c1-21(22-7-3-2-4-8-22)31-27-19-23(11-13-28(27)34(35)36)32-15-17-33(18-16-32)40(37,38)24-12-14-30-26(20-24)25-9-5-6-10-29(25)39-30/h2-14,19-21,31H,15-18H2,1H3