N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propyl]-4-methyl-benzenesulfonamide Formula: C21H25NO4S3 MolecularWeight: 451.6225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C2SCCCS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C2SCCCS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25NO4S3/c1-15-3-6-17(7-4-15)29(23,24)22-10-9-18(21-27-11-2-12-28-21)16-5-8-19-20(13-16)26-14-25-19/h3-8,13,18,21-22H,2,9-12,14H2,1H3