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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C21H21BrN4O5S MolecularWeight: 521.38424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O5S/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/h1-8,13-14,23H,9-12,15H2