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

Systemtic Name: ethyl 3-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]-4-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)C)NC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

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