4-phenethylsulfanyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenethylsulfanyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-(benzylamino)-4-phenethylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 4-(phenethylthio)-2-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-(benzylamino)-4-phenethylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 2-(benzylamino)-4-(phenethylthio)-5-sulfamoyl-benzoic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(C=C(C(=C2)NCC3=CC=CC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(C=C(C(=C2)NCC3=CC=CC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C22H22N2O4S2/c23-30(27,28)21-13-18(22(25)26)19(24-15-17-9-5-2-6-10-17)14-20(21)29-12-11-16-7-3-1-4-8-16/h1-10,13-14,24H,11-12,15H2,(H,25,26)(H2,23,27,28)