N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-methyl-butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-methylbutanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-methylbutanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-methyl-butyramide Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21NO5S2/c1-12(2)8-17(20)19-10-16(26(21,22)18-4-3-7-25-18)13-5-6-14-15(9-13)24-11-23-14/h3-7,9,12,16H,8,10-11H2,1-2H3,(H,19,20)