3-[(2-aminophenyl)methylsulfonylamino]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid

Systemtic Name: 3-[(2-aminophenyl)methylsulfonylamino]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Openeye Name: 3-[(2-aminophenyl)methylsulfonylamino]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid CAS Name: 3-[(2-aminophenyl)methylsulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2-azepanecarboxylic acid IUPAC Name: 3-[(2-aminophenyl)methylsulfonylamino]-1-(4-methoxyphenyl)sulfonylazepane-2-carboxylic acid Traditional Name: 3-[(2-aminobenzyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3N

InChI

InChI=1S/C21H27N3O7S2/c1-31-16-9-11-17(12-10-16)33(29,30)24-13-5-4-8-19(20(24)21(25)26)23-32(27,28)14-15-6-2-3-7-18(15)22/h2-3,6-7,9-12,19-20,23H,4-5,8,13-14,22H2,1H3,(H,25,26)