N-(1-adamantyl)-2-[(4-bromophenyl)-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-bromophenyl)-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-bromo-N-(4-chloro-3-nitro-phenyl)sulfonyl-anilino)acetamide CAS Name: N-(1-adamantyl)-2-(4-bromo-N-(4-chloro-3-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-(1-adamantyl)-2-(4-bromo-N-(4-chloro-3-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-(1-adamantyl)-2-(4-bromo-N-(4-chloro-3-nitro-phenyl)sulfonyl-anilino)acetamide Formula: C24H25BrClN3O5S MolecularWeight: 582.8944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CN(C4=CC=C(C=C4)Br)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CN(C4=CC=C(C=C4)Br)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H25BrClN3O5S/c25-18-1-3-19(4-2-18)28(35(33,34)20-5-6-21(26)22(10-20)29(31)32)14-23(30)27-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H,27,30)