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

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S/c1-12(2)19(20(24)22-13-4-6-16(27-3)15(21)10-13)23-30(25,26)14-5-7-17-18(11-14)29-9-8-28-17/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,24)/t19-/m0/s1