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

Systemtic Name: 5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-[4-(2-dibenzofuranylsulfonyl)-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-dibenzofuran-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-dibenzofuran-2-ylsulfonylpiperazino)-2-nitro-phenyl]amine Formula: C29H26N4O5S MolecularWeight: 542.60554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65

InChI

InChI=1S/C29H26N4O5S/c34-33(35)27-12-10-22(18-26(27)30-20-21-6-2-1-3-7-21)31-14-16-32(17-15-31)39(36,37)23-11-13-29-25(19-23)24-8-4-5-9-28(24)38-29/h1-13,18-19,30H,14-17,20H2