4-[[4-(4-carbamimidoylphenyl)sulfonylphenyl]amino]pentanoic acid

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)sulfonylphenyl]amino]pentanoic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)sulfonylanilino]pentanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)sulfonylanilino]pentanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)sulfonylanilino]pentanoic acid Traditional Name: 4-[4-(4-amidinophenyl)sulfonylanilino]valeric acid Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CCC(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H21N3O4S/c1-12(2-11-17(22)23)21-14-5-9-16(10-6-14)26(24,25)15-7-3-13(4-8-15)18(19)20/h3-10,12,21H,2,11H2,1H3,(H3,19,20)(H,22,23)