methyl 4-methyl-3-[[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate CAS Name: 4-methyl-3-[[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]amino]benzoate Traditional Name: 3-[[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O5S/c1-15-6-7-17(22(27)30-3)14-20(15)23-16(2)21(26)24-18-8-10-19(11-9-18)31(28,29)25-12-4-5-13-25/h6-11,14,16,23H,4-5,12-13H2,1-3H3,(H,24,26)/t16-/m1/s1