N-(furan-2-ylmethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C21H22N4O5S MolecularWeight: 442.48818

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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=CC=C4

Isomeric SMILES

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

InChI

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