ethyl 4-butylsulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-butylsulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-butylsulfanyl-5-sulfamoyl-benzoate CAS Name: 4-(butylthio)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-butylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(butylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)OCC)NCC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=C(C=C1S(=O)(=O)N)C(=O)OCC)NCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S2/c1-3-5-11-27-19-17(22-14-15-9-7-6-8-10-15)12-16(20(23)26-4-2)13-18(19)28(21,24)25/h6-10,12-13,22H,3-5,11,14H2,1-2H3,(H2,21,24,25)