N-(furan-2-ylmethyl)-2-nitro-5-[2-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-5-[2-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[2-(benzenesulfonyl)piperazin-1-yl]-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-[2-(benzenesulfonyl)-1-piperazinyl]-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-[2-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-(2-besylpiperazino)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

C1CN(C(CN1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C21H22N4O5S/c26-25(27)20-9-8-16(13-19(20)23-14-17-5-4-12-30-17)24-11-10-22-15-21(24)31(28,29)18-6-2-1-3-7-18/h1-9,12-13,21-23H,10-11,14-15H2