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3-(cyclobutylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

3-(cyclobutylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name:3-(cyclobutylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid
Openeye Name:4-benzyl-3-(cyclobutylmethylamino)-5-sulfamoyl-benzoic acid
CAS Name:3-(cyclobutylmethylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid
IUPAC Name:4-benzyl-3-(cyclobutylmethylamino)-5-sulfamoylbenzoic acid
Traditional Name:4-benzyl-3-(cyclobutylmethylamino)-5-sulfamoyl-benzoic acid
Formula: C19H22N2O4S
MolecularWeight: 374.45398
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3


Isomeric SMILES

C1CC(C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3


InChI

InChI=1S/C19H22N2O4S/c20-26(24,25)18-11-15(19(22)23)10-17(21-12-14-7-4-8-14)16(18)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14,21H,4,7-9,12H2,(H,22,23)(H2,20,24,25)


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