1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrophenyl)methylsulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-[(2-nitrobenzyl)sulfonylamino]-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Formula: C20H22N4O9S2 MolecularWeight: 526.54008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O9S2/c1-33-16-8-10-17(11-9-16)35(31,32)23-13-5-4-12-22(19(23)20(25)26)21-34(29,30)14-15-6-2-3-7-18(15)24(27)28/h2-11,19,21H,12-14H2,1H3,(H,25,26)