3-methylbutyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: 3-methylbutyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: isopentyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid isoamyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCCC(C)C)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCCC(C)C)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O5S/c1-4-5-12-24-19-14-17(22(25)28-13-11-16(2)3)15-20(30(23,26)27)21(19)29-18-9-7-6-8-10-18/h6-10,14-16,24H,4-5,11-13H2,1-3H3,(H2,23,26,27)