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

Systemtic Name: 1-[(2-aminophenyl)methylsulfonylamino]-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid Openeye Name: 1-[(2-aminophenyl)methylsulfonylamino]-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid CAS Name: 1-[(2-aminophenyl)methylsulfonylamino]-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid IUPAC Name: 1-[(2-aminophenyl)methylsulfonylamino]-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid Traditional Name: 1-[(2-aminobenzyl)sulfonylamino]-3-(4-methoxyphenyl)sulfonyl-1,3-diazepane-2-carboxylic acid Formula: C20H26N4O7S2 MolecularWeight: 498.57304

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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=C3N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(C2C(=O)O)NS(=O)(=O)CC3=CC=CC=C3N

InChI

InChI=1S/C20H26N4O7S2/c1-31-16-8-10-17(11-9-16)33(29,30)24-13-5-4-12-23(19(24)20(25)26)22-32(27,28)14-15-6-2-3-7-18(15)21/h2-3,6-11,19,22H,4-5,12-14,21H2,1H3,(H,25,26)