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

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

Systemtic Name:4-(phenethylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid
Openeye Name:3-(benzylamino)-4-(phenethylamino)-5-sulfamoyl-benzoic acid
CAS Name:4-(phenethylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid
IUPAC Name:3-(benzylamino)-4-(phenethylamino)-5-sulfamoylbenzoic acid
Traditional Name:3-(benzylamino)-4-(phenethylamino)-5-sulfamoyl-benzoic acid
Formula: C22H23N3O4S
MolecularWeight: 425.50072
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3


InChI

InChI=1S/C22H23N3O4S/c23-30(28,29)20-14-18(22(26)27)13-19(25-15-17-9-5-2-6-10-17)21(20)24-12-11-16-7-3-1-4-8-16/h1-10,13-14,24-25H,11-12,15H2,(H,26,27)(H2,23,28,29)


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