(1-azanyl-1-oxidanylidene-propan-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-10(13(15)17)21-14(18)11-5-4-6-12(9-11)22(19,20)16-7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H2,15,17)