N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-quinolin-8-yl-benzamide

Systemtic Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-quinolin-8-yl-benzamide Openeye Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide CAS Name: N-[4-(cyclohexylmethylamino)-3-nitrophenyl]sulfonyl-4-(8-quinolinyl)benzamide IUPAC Name: N-[4-(cyclohexylmethylamino)-3-nitrophenyl]sulfonyl-4-quinolin-8-ylbenzamide Traditional Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O5S/c34-29(23-13-11-21(12-14-23)25-10-4-8-22-9-5-17-30-28(22)25)32-39(37,38)24-15-16-26(27(18-24)33(35)36)31-19-20-6-2-1-3-7-20/h4-5,8-18,20,31H,1-3,6-7,19H2,(H,32,34)