(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(phenyl)amino]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(phenyl)amino]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonylanilino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonylanilino)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonylanilino)propanamide Traditional Name: (2S)-2-(N-mesylanilino)-N-piperonyl-propionamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-13(20(26(2,22)23)15-6-4-3-5-7-15)18(21)19-11-14-8-9-16-17(10-14)25-12-24-16/h3-10,13H,11-12H2,1-2H3,(H,19,21)/t13-/m0/s1