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

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-furylmethyl)-2-nitro-aniline CAS Name: N-(2-furanylmethyl)-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C22H24N4O5S MolecularWeight: 456.51476

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O5S/c27-26(28)22-9-8-19(15-21(22)23-16-20-7-4-14-31-20)24-10-12-25(13-11-24)32(29,30)17-18-5-2-1-3-6-18/h1-9,14-15,23H,10-13,16-17H2