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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-chloranyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-chloro-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-chloropropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-chloropropanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-chloro-propionamide Formula: C16H16ClNO5S2 MolecularWeight: 401.88494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CCCl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CCCl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H16ClNO5S2/c17-6-5-15(19)18-9-14(25(20,21)16-2-1-7-24-16)11-3-4-12-13(8-11)23-10-22-12/h1-4,7-8,14H,5-6,9-10H2,(H,18,19)