1-(4-methoxyphenyl)sulfonyl-3-[(phenylmethyl)sulfonylamino]-1,3-diazepane-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-[(phenylmethyl)sulfonylamino]-1,3-diazepane-2-carboxylic acid Openeye Name: 1-(benzylsulfonylamino)-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-[(phenylmethyl)sulfonylamino]-1,3-diazepane-2-carboxylic acid IUPAC Name: 1-(benzylsulfonylamino)-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid Traditional Name: 1-(benzylsulfonylamino)-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O7S2/c1-30-17-9-11-18(12-10-17)32(28,29)23-14-6-5-13-22(19(23)20(24)25)21-31(26,27)15-16-7-3-2-4-8-16/h2-4,7-12,19,21H,5-6,13-15H2,1H3,(H,24,25)