N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-chlorophenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-chlorophenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-chlorophenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(3-chlorophenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(3-chlorophenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-chlorophenyl)benzamide Formula: C30H30ClN3O5S MolecularWeight: 580.0943

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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=CC(=CC=C6)Cl)[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=CC(=CC=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H30ClN3O5S/c31-25-3-1-2-24(13-25)22-4-6-23(7-5-22)29(35)33-40(38,39)26-8-9-27(28(14-26)34(36)37)32-18-30-15-19-10-20(16-30)12-21(11-19)17-30/h1-9,13-14,19-21,32H,10-12,15-18H2,(H,33,35)