N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,3-dimethylphenyl)benzamide Formula: C32H35N3O5S MolecularWeight: 573.7024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1C)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C32H35N3O5S/c1-20-4-3-5-28(21(20)2)25-6-8-26(9-7-25)31(36)34-41(39,40)27-10-11-29(30(15-27)35(37)38)33-19-32-16-22-12-23(17-32)14-24(13-22)18-32/h3-11,15,22-24,33H,12-14,16-19H2,1-2H3,(H,34,36)