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

Systemtic Name: 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoyl-benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c21-28(26,27)18-12-15(20(24)25)11-17(22-13-14-7-3-1-4-8-14)19(18)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-12,16,22-23H,2,5-6,9-10,13H2,(H,24,25)(H2,21,26,27)