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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(1,3-benzodioxol-5-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(1,3-benzodioxol-5-yl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(1,3-benzodioxol-5-yl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(1,3-benzodioxol-5-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(1,3-benzodioxol-5-yl)benzamide Formula: C31H31N3O7S MolecularWeight: 589.65874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=CC7=C(C=C6)OCO7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=CC7=C(C=C6)OCO7)[N+](=O)[O-]

InChI

InChI=1S/C31H31N3O7S/c35-30(23-3-1-22(2-4-23)24-5-8-28-29(12-24)41-18-40-28)33-42(38,39)25-6-7-26(27(13-25)34(36)37)32-17-31-14-19-9-20(15-31)11-21(10-19)16-31/h1-8,12-13,19-21,32H,9-11,14-18H2,(H,33,35)