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

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

Systemtic Name:4-(butylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid
Openeye Name:3-(benzylamino)-4-(butylamino)-5-sulfamoyl-benzoic acid
CAS Name:4-(butylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid
IUPAC Name:3-(benzylamino)-4-(butylamino)-5-sulfamoylbenzoic acid
Traditional Name:3-(benzylamino)-4-(butylamino)-5-sulfamoyl-benzoic acid
Formula: C18H23N3O4S
MolecularWeight: 377.45792
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2


Isomeric SMILES

CCCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2


InChI

InChI=1S/C18H23N3O4S/c1-2-3-9-20-17-15(21-12-13-7-5-4-6-8-13)10-14(18(22)23)11-16(17)26(19,24)25/h4-8,10-11,20-21H,2-3,9,12H2,1H3,(H,22,23)(H2,19,24,25)


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