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

Systemtic Name: methyl 3-(3-chloranylpropylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: methyl 4-benzyl-3-(3-chloropropylamino)-5-sulfamoyl-benzoate CAS Name: 3-(3-chloropropylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-(3-chloropropylamino)-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(3-chloropropylamino)-5-sulfamoyl-benzoic acid methyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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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)NCCCCl

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c1-25-18(22)14-11-16(21-9-5-8-19)15(17(12-14)26(20,23)24)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,21H,5,8-10H2,1H3,(H2,20,23,24)