3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(3-amidinophenyl)-3-(tosylamino)propionic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C17H19N3O4S/c1-11-5-7-14(8-6-11)25(23,24)20-15(10-16(21)22)12-3-2-4-13(9-12)17(18)19/h2-9,15,20H,10H2,1H3,(H3,18,19)(H,21,22)