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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-methyl-butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-methylbutanamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-methyl-butyramide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O5S/c1-13(2)8-19(22)21-11-18(14-4-3-7-20-10-14)27(23,24)15-5-6-16-17(9-15)26-12-25-16/h3-7,9-10,13,18H,8,11-12H2,1-2H3,(H,21,22)