2-[4-[2-[(4-carbamimidoylphenyl)sulfonyl-methyl-amino]ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonyl-methyl-amino]ethyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonyl-methyl-amino]ethyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonyl-methylamino]ethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonyl-methylamino]ethyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinophenyl)sulfonyl-methyl-amino]ethyl]phenoxy]acetic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)OCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(CCC1=CC=C(C=C1)OCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H21N3O5S/c1-21(27(24,25)16-8-4-14(5-9-16)18(19)20)11-10-13-2-6-15(7-3-13)26-12-17(22)23/h2-9H,10-12H2,1H3,(H3,19,20)(H,22,23)