ethyl 4-(2-methylphenyl)sulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-(2-methylphenyl)sulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(o-tolylsulfanyl)-5-sulfamoyl-benzoate CAS Name: 4-[(2-methylphenyl)thio]-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(2-methylphenyl)sulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(o-tolylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4S2/c1-3-29-23(26)18-13-19(25-15-17-10-5-4-6-11-17)22(21(14-18)31(24,27)28)30-20-12-8-7-9-16(20)2/h4-14,25H,3,15H2,1-2H3,(H2,24,27,28)