1,3-benzodioxol-5-yl (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate CAS Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate Traditional Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-valeric acid 1,3-benzodioxol-5-yl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C[C@H](C(=O)OC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23NO7S/c1-13(2)10-17(21-29(23,24)16-7-4-14(25-3)5-8-16)20(22)28-15-6-9-18-19(11-15)27-12-26-18/h4-9,11,13,17,21H,10,12H2,1-3H3/t17-/m1/s1