2-methylidene-4-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid

Systemtic Name: 2-methylidene-4-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid Openeye Name: 2-methylene-4-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid CAS Name: 2-methylene-4-[[oxo-(4-sulfamoylanilino)methyl]amino]butanoic acid IUPAC Name: 2-methylidene-4-[(4-sulfamoylphenyl)carbamoylamino]butanoic acid Traditional Name: 2-[2-[(4-sulfamoylphenyl)carbamoylamino]ethyl]acrylic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C=C(CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O5S/c1-8(11(16)17)6-7-14-12(18)15-9-2-4-10(5-3-9)21(13,19)20/h2-5H,1,6-7H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)