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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-ethyl-1,3-benzothiazol-5-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-ethyl-1,3-benzothiazol-5-yl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-ethyl-1,3-benzothiazol-5-yl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-ethyl-1,3-benzothiazol-5-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-ethyl-1,3-benzothiazol-5-yl)benzamide Formula: C33H34N4O5S2 MolecularWeight: 630.77686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C33H34N4O5S2/c1-2-31-35-28-14-25(7-10-30(28)43-31)23-3-5-24(6-4-23)32(38)36-44(41,42)26-8-9-27(29(15-26)37(39)40)34-19-33-16-20-11-21(17-33)13-22(12-20)18-33/h3-10,14-15,20-22,34H,2,11-13,16-19H2,1H3,(H,36,38)