2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-1,2-diazepine-1-carboxylic acid

Systemtic Name: 2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-1,2-diazepine-1-carboxylic acid Openeye Name: 2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-diazepine-1-carboxylic acid CAS Name: 2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-diazepine-1-carboxylic acid IUPAC Name: 2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-diazepine-1-carboxylic acid Traditional Name: 2,5-bis[(4-methoxyphenyl)sulfonyl]-3H-diazepine-1-carboxylic acid Formula: C20H20N2O8S2 MolecularWeight: 480.5114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CCN(N(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CCN(N(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O8S2/c1-29-15-3-7-17(8-4-15)31(25,26)18-11-13-21(20(23)24)22(14-12-18)32(27,28)19-9-5-16(30-2)6-10-19/h3-13H,14H2,1-2H3,(H,23,24)