N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,4,6-trimethylphenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,4,6-trimethylphenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2,4,6-trimethylphenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2,4,6-trimethylphenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2,4,6-trimethylphenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-mesityl-benzamide Formula: C33H37N3O5S MolecularWeight: 587.72898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

InChI

InChI=1S/C33H37N3O5S/c1-20-10-21(2)31(22(3)11-20)26-4-6-27(7-5-26)32(37)35-42(40,41)28-8-9-29(30(15-28)36(38)39)34-19-33-16-23-12-24(17-33)14-25(13-23)18-33/h4-11,15,23-25,34H,12-14,16-19H2,1-3H3,(H,35,37)