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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C(=C1)Cl)OCO2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=C(C(=C1)Cl)OCO2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22ClNO7S/c1-12(2)18(22-30(24,25)15-6-4-14(26-3)5-7-15)20(23)27-10-13-8-16(21)19-17(9-13)28-11-29-19/h4-9,12,18,22H,10-11H2,1-3H3/t18-/m0/s1