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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-chloranyl-propane-1-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-chloro-propane-1-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-chloro-1-propanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-chloropropane-1-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-chloro-propane-1-sulfonamide Formula: C16H18ClNO6S3 MolecularWeight: 451.96522

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNS(=O)(=O)CCCCl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNS(=O)(=O)CCCCl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H18ClNO6S3/c17-6-2-8-26(19,20)18-10-15(27(21,22)16-3-1-7-25-16)12-4-5-13-14(9-12)24-11-23-13/h1,3-5,7,9,15,18H,2,6,8,10-11H2