methanal; 3-(3-oxidanylidenebutylamino)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: methanal; 3-(3-oxidanylidenebutylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: formaldehyde; 3-(3-oxobutylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: formaldehyde; 3-(3-oxobutylamino)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: formaldehyde; 3-(3-oxobutylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: formaldehyde; 3-(3-ketobutylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2.C=O

Isomeric SMILES

CC(=O)CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2.C=O

InChI

InChI=1S/C17H18N2O6S.CH2O/c1-11(20)7-8-19-14-9-12(17(21)22)10-15(26(18,23)24)16(14)25-13-5-3-2-4-6-13;1-2/h2-6,9-10,19H,7-8H2,1H3,(H,21,22)(H2,18,23,24);1H2