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2-(phenethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

2-(phenethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name:2-(phenethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid
Openeye Name:4-benzyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid
CAS Name:2-(phenethylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid
IUPAC Name:4-benzyl-2-(phenethylamino)-5-sulfamoylbenzoic acid
Traditional Name:4-benzyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid
Formula: C22H22N2O4S
MolecularWeight: 410.48608
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3


InChI

InChI=1S/C22H22N2O4S/c23-29(27,28)21-15-19(22(25)26)20(24-12-11-16-7-3-1-4-8-16)14-18(21)13-17-9-5-2-6-10-17/h1-10,14-15,24H,11-13H2,(H,25,26)(H2,23,27,28)


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