N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Formula: C32H32N4O5S2 MolecularWeight: 616.75028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

InChI

InChI=1S/C32H32N4O5S2/c1-19-34-28-13-25(6-9-30(28)42-19)23-2-4-24(5-3-23)31(37)35-43(40,41)26-7-8-27(29(14-26)36(38)39)33-18-32-15-20-10-21(16-32)12-22(11-20)17-32/h2-9,13-14,20-22,33H,10-12,15-18H2,1H3,(H,35,37)