[(3S,4S)-1-methyl-4-(propan-2-ylsulfonylamino)pyrrolidin-3-yl] 3-methyl-4-phenyl-benzoate

Systemtic Name: [(3S,4S)-1-methyl-4-(propan-2-ylsulfonylamino)pyrrolidin-3-yl] 3-methyl-4-phenyl-benzoate Openeye Name: [(3S,4S)-4-(isopropylsulfonylamino)-1-methyl-pyrrolidin-3-yl] 3-methyl-4-phenyl-benzoate CAS Name: 3-methyl-4-phenylbenzoic acid [(3S,4S)-1-methyl-4-(propan-2-ylsulfonylamino)-3-pyrrolidinyl] ester IUPAC Name: [(3S,4S)-1-methyl-4-(propan-2-ylsulfonylamino)pyrrolidin-3-yl] 3-methyl-4-phenylbenzoate Traditional Name: 3-methyl-4-phenyl-benzoic acid [(3S,4S)-4-(isopropylsulfonylamino)-1-methyl-pyrrolidin-3-yl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CN(CC2NS(=O)(=O)C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H]2CN(C[C@@H]2NS(=O)(=O)C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-15(2)29(26,27)23-20-13-24(4)14-21(20)28-22(25)18-10-11-19(16(3)12-18)17-8-6-5-7-9-17/h5-12,15,20-21,23H,13-14H2,1-4H3/t20-,21-/m0/s1