4-(4-methoxyphenyl)sulfonyl-1-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O7S/c1-29-17-7-9-18(10-8-17)31(27,28)23-14-13-22(12-11-19(23)20(24)25)21(26)30-15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,24,25)