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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-12-5-6-13(2)16(9-12)21(27(4,23)24)14(3)19(22)20-15-7-8-17-18(10-15)26-11-25-17/h5-10,14H,11H2,1-4H3,(H,20,22)/t14-/m0/s1