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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3,4-dichlorophenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3,4-dichlorophenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(3,4-dichlorophenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(3,4-dichlorophenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3,4-dichlorophenyl)benzamide Formula: C30H29Cl2N3O5S MolecularWeight: 614.53936

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

InChI

InChI=1S/C30H29Cl2N3O5S/c31-25-7-5-23(12-26(25)32)21-1-3-22(4-2-21)29(36)34-41(39,40)24-6-8-27(28(13-24)35(37)38)33-17-30-14-18-9-19(15-30)11-20(10-18)16-30/h1-8,12-13,18-20,33H,9-11,14-17H2,(H,34,36)