5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(2-oxolanylmethyl)aniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(tetrahydrofurfuryl)amine Formula: C21H25BrN4O5S MolecularWeight: 525.416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN4O5S/c22-16-3-6-19(7-4-16)32(29,30)25-11-9-24(10-12-25)17-5-8-21(26(27)28)20(14-17)23-15-18-2-1-13-31-18/h3-8,14,18,23H,1-2,9-13,15H2