methyl 3-(4-chloranylbutylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 3-(4-chloranylbutylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: methyl 4-benzyl-3-(4-chlorobutylamino)-5-sulfamoyl-benzoate CAS Name: 3-(4-chlorobutylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-(4-chlorobutylamino)-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(4-chlorobutylamino)-5-sulfamoyl-benzoic acid methyl ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)NCCCCCl

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)NCCCCCl

InChI

InChI=1S/C19H23ClN2O4S/c1-26-19(23)15-12-17(22-10-6-5-9-20)16(18(13-15)27(21,24)25)11-14-7-3-2-4-8-14/h2-4,7-8,12-13,22H,5-6,9-11H2,1H3,(H2,21,24,25)