ethyl 4-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H27N3O7S2/c1-6-31-21(26)16-7-12-19(15(2)13-16)22-20(25)14-24(32(5,27)28)17-8-10-18(11-9-17)33(29,30)23(3)4/h7-13H,6,14H2,1-5H3,(H,22,25)