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

Systemtic Name: methyl 3-(3-chloranylpropylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate Openeye Name: methyl 3-(3-chloropropylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(3-chloropropylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-chloropropylamino)-4-phenylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(3-chloropropylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)NCCCCl

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)NCCCCl

InChI

InChI=1S/C17H19ClN2O4S2/c1-24-17(21)12-10-14(20-9-5-8-18)16(15(11-12)26(19,22)23)25-13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H2,19,22,23)