(2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide

Systemtic Name: (2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21ClN2O5S/c1-12(2)18(19(23)21-14-5-3-13(20)4-6-14)22-28(24,25)15-7-8-16-17(11-15)27-10-9-26-16/h3-8,11-12,18,22H,9-10H2,1-2H3,(H,21,23)/t18-/m0/s1