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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(4-chlorophenyl)methyl]-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(4-chlorobenzyl)amine Formula: C23H22BrClN4O4S MolecularWeight: 565.86718

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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)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrClN4O4S/c24-18-3-8-21(9-4-18)34(32,33)28-13-11-27(12-14-28)20-7-10-23(29(30)31)22(15-20)26-16-17-1-5-19(25)6-2-17/h1-10,15,26H,11-14,16H2