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

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

Systemtic Name:3-(4-oxidanylbutylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid
Openeye Name:4-benzyl-3-(4-hydroxybutylamino)-5-sulfamoyl-benzoic acid
CAS Name:3-(4-hydroxybutylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid
IUPAC Name:4-benzyl-3-(4-hydroxybutylamino)-5-sulfamoylbenzoic acid
Traditional Name:4-benzyl-3-(4-hydroxybutylamino)-5-sulfamoyl-benzoic acid
Formula: C18H22N2O5S
MolecularWeight: 378.44268
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCCO


Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCCO


InChI

InChI=1S/C18H22N2O5S/c19-26(24,25)17-12-14(18(22)23)11-16(20-8-4-5-9-21)15(17)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,20-21H,4-5,8-10H2,(H,22,23)(H2,19,24,25)


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