4-[[4-azanyl-3-[ethyl(phenyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-azanyl-3-[ethyl(phenyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-amino-3-[ethyl(phenyl)sulfamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-amino-3-[ethyl(phenyl)sulfamoyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-amino-3-[ethyl(phenyl)sulfamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-amino-3-[ethyl(phenyl)sulfamoyl]anilino]-4-keto-butyric acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)N

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)N

InChI

InChI=1S/C18H21N3O5S/c1-2-21(14-6-4-3-5-7-14)27(25,26)16-12-13(8-9-15(16)19)20-17(22)10-11-18(23)24/h3-9,12H,2,10-11,19H2,1H3,(H,20,22)(H,23,24)