3-(butylamino)-5-butylsulfinamoyl-4-phenoxy-benzoic acid

Systemtic Name: 3-(butylamino)-5-butylsulfinamoyl-4-phenoxy-benzoic acid Openeye Name: 3-(butylamino)-5-butylsulfinamoyl-4-phenoxy-benzoic acid CAS Name: 3-(butylamino)-5-butylsulfinamoyl-4-phenoxybenzoic acid IUPAC Name: 3-(butylamino)-5-butylsulfinamoyl-4-phenoxybenzoic acid Traditional Name: 3-(butylamino)-5-butylsulfinamoyl-4-phenoxy-benzoic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)NCCCC)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)NCCCC)OC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-3-5-12-22-18-14-16(21(24)25)15-19(28(26)23-13-6-4-2)20(18)27-17-10-8-7-9-11-17/h7-11,14-15,22-23H,3-6,12-13H2,1-2H3,(H,24,25)