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butyl 3-(butylamino)-4-phenylazanyl-5-sulfamoyl-benzoate

butyl 3-(butylamino)-4-phenylazanyl-5-sulfamoyl-benzoate

Systemtic Name:butyl 3-(butylamino)-4-phenylazanyl-5-sulfamoyl-benzoate
Openeye Name:butyl 4-anilino-3-(butylamino)-5-sulfamoyl-benzoate
CAS Name:4-anilino-3-(butylamino)-5-sulfamoylbenzoic acid butyl ester
IUPAC Name:butyl 4-anilino-3-(butylamino)-5-sulfamoylbenzoate
Traditional Name:4-anilino-3-(butylamino)-5-sulfamoyl-benzoic acid butyl ester
Formula: C21H29N3O4S
MolecularWeight: 419.53766
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCCCC)S(=O)(=O)N)NC2=CC=CC=C2


Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCCCC)S(=O)(=O)N)NC2=CC=CC=C2


InChI

InChI=1S/C21H29N3O4S/c1-3-5-12-23-18-14-16(21(25)28-13-6-4-2)15-19(29(22,26)27)20(18)24-17-10-8-7-9-11-17/h7-11,14-15,23-24H,3-6,12-13H2,1-2H3,(H2,22,26,27)


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