1-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-3H-1,2-diazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-3H-1,2-diazepine-2-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-3H-diazepine-2-carboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-5-phenylmethoxycarbonyl-3H-diazepine-2-carboxylic acid Traditional Name: 5-carbobenzoxy-1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2-carboxylic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=CCN2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=CCN2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7S/c1-29-18-7-9-19(10-8-18)31(27,28)23-14-12-17(11-13-22(23)21(25)26)20(24)30-15-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,25,26)