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

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-12(2)19(20(24)22-14-5-4-13(3)16(21)10-14)23-29(25,26)15-6-7-17-18(11-15)28-9-8-27-17/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,24)/t19-/m0/s1