3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid 3-(dimethylamino)propyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-4-5-12-24-19-15-17(22(26)29-14-9-13-25(2)3)16-20(31(23,27)28)21(19)30-18-10-7-6-8-11-18/h6-8,10-11,15-16,24H,4-5,9,12-14H2,1-3H3,(H2,23,27,28)