methyl 2-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-2-methyl-propanoate CAS Name: 2-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-2-methylpropanoate Traditional Name: 2-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]-2-methyl-propionic acid methyl ester Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C16H21BrN2O5S/c1-16(2,15(21)24-3)18-14(20)12-10-11(6-7-13(12)17)25(22,23)19-8-4-5-9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,20)