2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[2-(2-thienyl)ethyl]butyramide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H26N2O5S2/c1-14(2)19(20(23)21-9-8-15-5-3-12-28-15)22-29(24,25)16-6-7-17-18(13-16)27-11-4-10-26-17/h3,5-7,12-14,19,22H,4,8-11H2,1-2H3,(H,21,23)