(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethylthiophen-2-yl)methyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethylthiophen-2-yl)methyl]-3-methyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethyl-2-thienyl)methyl]-3-methyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethyl-2-thiophenyl)methyl]-3-methylbutanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethylthiophen-2-yl)methyl]-3-methylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(5-ethyl-2-thienyl)methyl]-3-methyl-butyramide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H26N2O5S2/c1-4-14-5-6-15(28-14)12-21-20(23)19(13(2)3)22-29(24,25)16-7-8-17-18(11-16)27-10-9-26-17/h5-8,11,13,19,22H,4,9-10,12H2,1-3H3,(H,21,23)/t19-/m0/s1