2-[1-carbamimidoyl-2-(4-sulfamoylphenyl)piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-carbamimidoyl-2-(4-sulfamoylphenyl)piperidin-4-yl]propanoic acid Openeye Name: 2-[1-carbamimidoyl-2-(4-sulfamoylphenyl)-4-piperidyl]propanoic acid CAS Name: 2-[1-carbamimidoyl-2-(4-sulfamoylphenyl)-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-carbamimidoyl-2-(4-sulfamoylphenyl)piperidin-4-yl]propanoic acid Traditional Name: 2-[1-amidino-2-(4-sulfamoylphenyl)-4-piperidyl]propionic acid Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=C(C=C2)S(=O)(=O)N)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=C(C=C2)S(=O)(=O)N)C(=N)N)C(=O)O

InChI

InChI=1S/C15H22N4O4S/c1-9(14(20)21)11-6-7-19(15(16)17)13(8-11)10-2-4-12(5-3-10)24(18,22)23/h2-5,9,11,13H,6-8H2,1H3,(H3,16,17)(H,20,21)(H2,18,22,23)