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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-chloranyl-propane-1-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-chloro-propane-1-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-chloro-1-propanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-chloropropane-1-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-chloro-propane-1-sulfonamide Formula: C17H19ClN2O6S2 MolecularWeight: 446.92556

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)CCCCl)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)CCCCl)C3=CN=CC=C3

InChI

InChI=1S/C17H19ClN2O6S2/c18-6-2-8-27(21,22)20-11-17(13-3-1-7-19-10-13)28(23,24)14-4-5-15-16(9-14)26-12-25-15/h1,3-5,7,9-10,17,20H,2,6,8,11-12H2