methyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]ethanoate ethanoate

Systemtic Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]ethanoate ethanoate Openeye Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate acetate CAS Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester acetate IUPAC Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate acetate Traditional Name: 2-[4-[2-[(4-amidinophenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester acetate Formula: C21H26N3O7S- MolecularWeight: 464.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C19H23N3O5S.C2H4O2/c1-13(11-14-3-7-16(8-4-14)27-12-18(23)26-2)22-28(24,25)17-9-5-15(6-10-17)19(20)21;1-2(3)4/h3-10,13,22H,11-12H2,1-2H3,(H3,20,21);1H3,(H,3,4)/p-1