[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=CN2C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CN2C)C

InChI

InChI=1S/C20H27N3O5S/c1-6-23(7-2)29(26,27)18-13-16(11-10-14(18)3)21-19(24)15(4)28-20(25)17-9-8-12-22(17)5/h8-13,15H,6-7H2,1-5H3,(H,21,24)/t15-/m0/s1