4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-bromophenyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H24BrN3O5S/c26-20-12-10-18(11-13-20)17-6-8-19(9-7-17)25(30)28-35(33,34)22-14-15-23(24(16-22)29(31)32)27-21-4-2-1-3-5-21/h6-16,21,27H,1-5H2,(H,28,30)