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

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: N-benzyl-5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: N-benzyl-5-(4-benzylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]amine Formula: C24H26N4O4S MolecularWeight: 466.55264

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c29-28(30)24-12-11-22(17-23(24)25-18-20-7-3-1-4-8-20)26-13-15-27(16-14-26)33(31,32)19-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2