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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]butane-1-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]butane-1-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-1-butanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]butane-1-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]butane-1-sulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-2-3-9-27(21,22)20-12-18(14-5-4-8-19-11-14)28(23,24)15-6-7-16-17(10-15)26-13-25-16/h4-8,10-11,18,20H,2-3,9,12-13H2,1H3