(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H22N2O5S/c1-14-9-10-16(28(25,26)22-11-5-6-12-22)13-17(14)20(24)27-18(19(21)23)15-7-3-2-4-8-15/h2-4,7-10,13,18H,5-6,11-12H2,1H3,(H2,21,23)