3-[[(4-nitrophenyl)-(3-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]adamantane-1-carboxylic acid

Systemtic Name: 3-[[(4-nitrophenyl)-(3-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]adamantane-1-carboxylic acid Openeye Name: 3-[[(4-nitrophenyl)-(3-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]adamantane-1-carboxylic acid CAS Name: 3-[[(4-nitro-N-(3-nitrophenyl)sulfonylanilino)-oxomethyl]-(4-nitrophenyl)sulfonylamino]-1-adamantanecarboxylic acid IUPAC Name: 3-[[(4-nitrophenyl)-(3-nitrophenyl)sulfonylcarbamoyl]-(4-nitrophenyl)sulfonylamino]adamantane-1-carboxylic acid Traditional Name: 3-[[(4-nitrophenyl)-(3-nitrophenyl)sulfonyl-carbamoyl]-nosyl-amino]adamantane-1-carboxylic acid Formula: C30H27N5O13S2 MolecularWeight: 729.69108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N(C(=O)N(C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N(C(=O)N(C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H27N5O13S2/c36-27(37)29-14-19-12-20(15-29)17-30(16-19,18-29)32(50(47,48)25-10-8-23(9-11-25)34(41)42)28(38)31(21-4-6-22(7-5-21)33(39)40)49(45,46)26-3-1-2-24(13-26)35(43)44/h1-11,13,19-20H,12,14-18H2,(H,36,37)