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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]-2-nitro-aniline CAS Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-(4-chlorobenzyl)amine Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O4S/c25-21-8-6-19(7-9-21)17-26-23-16-22(10-11-24(23)29(30)31)27-12-14-28(15-13-27)34(32,33)18-20-4-2-1-3-5-20/h1-11,16,26H,12-15,17-18H2