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

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzyl-2-nitroaniline Traditional Name: benzyl-[5-(4-besylpiperazino)-2-nitro-phenyl]amine Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4S/c28-27(29)23-12-11-20(17-22(23)24-18-19-7-3-1-4-8-19)25-13-15-26(16-14-25)32(30,31)21-9-5-2-6-10-21/h1-12,17,24H,13-16,18H2