1-[3-(4-carbamimidoylphenyl)propanoyl]cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]cyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1-[3-(4-amidinophenyl)propanoyl]cyclohexa-2,4-diene-1-sulfonic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(C(=O)CCC2=CC=C(C=C2)C(=N)N)S(=O)(=O)O

Isomeric SMILES

C1C=CC=CC1(C(=O)CCC2=CC=C(C=C2)C(=N)N)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O4S/c17-15(18)13-7-4-12(5-8-13)6-9-14(19)16(23(20,21)22)10-2-1-3-11-16/h1-5,7-8,10H,6,9,11H2,(H3,17,18)(H,20,21,22)