methyl 3-(2-chloroethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 3-(2-chloroethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: methyl 4-benzyl-3-(2-chloroethylamino)-5-sulfamoyl-benzoate CAS Name: 3-(2-chloroethylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-(2-chloroethylamino)-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(2-chloroethylamino)-5-sulfamoyl-benzoic acid methyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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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)NCCCl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-24-17(21)13-10-15(20-8-7-18)14(16(11-13)25(19,22)23)9-12-5-3-2-4-6-12/h2-6,10-11,20H,7-9H2,1H3,(H2,19,22,23)