N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfonyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfonyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfonyl-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfonyl-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfonyl-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-mesyl-N-piperonyl-acetamide Formula: C17H22N2O6S MolecularWeight: 382.43138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CCCCNC3=O

Isomeric SMILES

CS(=O)(=O)CC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H22N2O6S/c1-26(22,23)10-16(20)19(13-4-2-3-7-18-17(13)21)9-12-5-6-14-15(8-12)25-11-24-14/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,18,21)/t13-/m0/s1