3-(1-azanylethyl)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(1-azanylethyl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(1-aminoethyl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(1-aminoethyl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(1-aminoethyl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(1-aminoethyl)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-9(16)12-7-10(15(18)19)8-13(23(17,20)21)14(12)22-11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,18,19)(H2,17,20,21)