[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@H](C)C(=O)N)C

InChI

InChI=1S/C21H26N2O5S/c1-4-5-6-16-8-11-18(12-9-16)23-29(26,27)19-13-17(10-7-14(19)2)21(25)28-15(3)20(22)24/h7-13,15,23H,4-6H2,1-3H3,(H2,22,24)/t15-/m1/s1