7-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-1,2-diazepine-1-carboxylic acid

Systemtic Name: 7-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-1,2-diazepine-1-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-7-(4-methoxyphenyl)sulfonyl-diazepine-1-carboxylic acid CAS Name: 7-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-1-diazepinecarboxylic acid IUPAC Name: 7-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyldiazepine-1-carboxylic acid Traditional Name: 5-carbobenzoxy-7-(4-methoxyphenyl)sulfonyl-diazepine-1-carboxylic acid Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=NN2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=NN2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O7S/c1-29-17-7-9-18(10-8-17)31(27,28)19-13-16(11-12-22-23(19)21(25)26)20(24)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,26)