(7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H18ClNO6S/c1-11-3-5-14(6-4-11)27(22,23)20-12(2)18(21)24-9-13-7-15(19)17-16(8-13)25-10-26-17/h3-8,12,20H,9-10H2,1-2H3/t12-/m0/s1