butyl 3-azanyl-4-phenylsulfanyl-5-sulfamoyl-benzoate

Systemtic Name: butyl 3-azanyl-4-phenylsulfanyl-5-sulfamoyl-benzoate Openeye Name: butyl 3-amino-4-phenylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-amino-4-(phenylthio)-5-sulfamoylbenzoic acid butyl ester IUPAC Name: butyl 3-amino-4-phenylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-amino-4-(phenylthio)-5-sulfamoyl-benzoic acid butyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)N

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)N

InChI

InChI=1S/C17H20N2O4S2/c1-2-3-9-23-17(20)12-10-14(18)16(15(11-12)25(19,21)22)24-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,18H2,1H3,(H2,19,21,22)