4-[(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxy-pentanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxy-pentanoic acid Openeye Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxy-pentanoic acid CAS Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxypentanoic acid IUPAC Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxypentanoic acid Traditional Name: 4-[(4-amidinophenyl)sulfonylamino]-2-phenoxy-valeric acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(C(=O)O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

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