1-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]cyclopropanecarboxylic acid CAS Name: 1-[[(4-nitro-N-(4-nitrophenyl)sulfonylanilino)-sulfanylidenemethyl]-(4-nitrophenyl)sulfonylamino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonylcarbamothioyl]-(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[(4-nitrophenyl)-nosyl-thiocarbamoyl]-nosyl-amino]cyclopropanecarboxylic acid Formula: C23H17N5O12S3 MolecularWeight: 651.60238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)N(C(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1(C(=O)O)N(C(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O12S3/c29-21(30)23(13-14-23)25(43(39,40)20-11-7-18(8-12-20)28(35)36)22(41)24(15-1-3-16(4-2-15)26(31)32)42(37,38)19-9-5-17(6-10-19)27(33)34/h1-12H,13-14H2,(H,29,30)