4-azanylidene-1,4-bis[6-[[4-(bromomethyl)-3-nitro-phenyl]carbonylamino]hexanoyloxy]-1-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 4-azanylidene-1,4-bis[6-[[4-(bromomethyl)-3-nitro-phenyl]carbonylamino]hexanoyloxy]-1-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1,4-bis[6-[[4-(bromomethyl)-3-nitro-benzoyl]amino]hexanoyloxy]-4-imino-1-oxo-butane-2-sulfonic acid CAS Name: 1,4-bis[6-[[[4-(bromomethyl)-3-nitrophenyl]-oxomethyl]amino]-1-oxohexoxy]-4-imino-1-oxo-2-butanesulfonic acid IUPAC Name: 1,4-bis[6-[[4-(bromomethyl)-3-nitrobenzoyl]amino]hexanoyloxy]-4-imino-1-oxobutane-2-sulfonic acid Traditional Name: 1,4-bis[6-[[4-(bromomethyl)-3-nitro-benzoyl]amino]hexanoyloxy]-4-imino-1-keto-butane-2-sulfonic acid Formula: C32H37Br2N5O14S MolecularWeight: 907.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCCCCC(=O)OC(=N)CC(C(=O)OC(=O)CCCCCNC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])CBr

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCCCCC(=O)OC(=N)CC(C(=O)OC(=O)CCCCCNC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])CBr

InChI

InChI=1S/C32H37Br2N5O14S/c33-18-22-11-9-20(15-24(22)38(45)46)30(42)36-13-5-1-3-7-28(40)52-27(35)17-26(54(49,50)51)32(44)53-29(41)8-4-2-6-14-37-31(43)21-10-12-23(19-34)25(16-21)39(47)48/h9-12,15-16,26,35H,1-8,13-14,17-19H2,(H,36,42)(H,37,43)(H,49,50,51)