[2-[(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [2-[(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(4-methyl-2-morpholinosulfonyl-anilino)-2-oxo-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid [2-[4-methyl-2-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid [2-keto-2-(4-methyl-2-morpholinosulfonyl-anilino)ethyl] ester Formula: C31H37N3O8S2 MolecularWeight: 643.77078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C31H37N3O8S2/c1-4-5-6-24-9-11-25(12-10-24)33-43(37,38)26-13-8-23(3)27(20-26)31(36)42-21-30(35)32-28-14-7-22(2)19-29(28)44(39,40)34-15-17-41-18-16-34/h7-14,19-20,33H,4-6,15-18,21H2,1-3H3,(H,32,35)