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

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-3-cyano-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-3-cyano-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-3-cyanopropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-3-cyanopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-3-cyano-propyl]-4-methyl-benzenesulfonamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O4S/c1-13-2-5-16(6-3-13)25(21,22)20-9-8-15(11-19)14-4-7-17-18(10-14)24-12-23-17/h2-7,10,15,20H,8-9,12H2,1H3