4-chloranylbutanamide; 3-(4-chloranylbutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranylbutanamide; 3-(4-chloranylbutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 4-chlorobutanamide; 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 4-chlorobutanamide; 3-[(4-chloro-1-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 4-chlorobutanamide; 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid; 4-chlorobutyramide Formula: C21H25Cl2N3O7S MolecularWeight: 534.4101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NC(=O)CCCCl.C(CC(=O)N)CCl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NC(=O)CCCCl.C(CC(=O)N)CCl

InChI

InChI=1S/C17H17ClN2O6S.C4H8ClNO/c18-8-4-7-15(21)20-13-9-11(17(22)23)10-14(27(19,24)25)16(13)26-12-5-2-1-3-6-12;5-3-1-2-4(6)7/h1-3,5-6,9-10H,4,7-8H2,(H,20,21)(H,22,23)(H2,19,24,25);1-3H2,(H2,6,7)