4-morpholin-4-yl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-morpholin-4-yl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-morpholino-5-sulfamoyl-benzoic acid CAS Name: 4-(4-morpholinyl)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-morpholin-4-yl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-morpholino-5-sulfamoyl-benzoic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O5S/c19-27(24,25)16-11-14(18(22)23)10-15(17(16)21-6-8-26-9-7-21)20-12-13-4-2-1-3-5-13/h1-5,10-11,20H,6-9,12H2,(H,22,23)(H2,19,24,25)