N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[2-(phenylsulfinyl)ethyl]aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[2-(phenylsulfinyl)ethyl]aniline Openeye Name: N-[2-(benzenesulfinyl)ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-aniline CAS Name: N-[2-(benzenesulfinyl)ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyaniline IUPAC Name: N-[2-(benzenesulfinyl)ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyaniline Traditional Name: 2-(benzenesulfinyl)ethyl-(3-methoxyphenyl)-piperonyl-amine Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCS(=O)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N(CCS(=O)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23NO4S/c1-26-20-7-5-6-19(15-20)24(12-13-29(25)21-8-3-2-4-9-21)16-18-10-11-22-23(14-18)28-17-27-22/h2-11,14-15H,12-13,16-17H2,1H3