[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O6S/c1-15(20(24)22-18-7-3-4-8-19(18)28-2)29-21(25)16-9-11-17(12-10-16)30(26,27)23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,24)/t15-/m1/s1