(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide Traditional Name: (2R)-2-(N-mesyl-4-methyl-anilino)-N-piperonyl-propionamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N([C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-13-4-7-16(8-5-13)21(27(3,23)24)14(2)19(22)20-11-15-6-9-17-18(10-15)26-12-25-17/h4-10,14H,11-12H2,1-3H3,(H,20,22)/t14-/m1/s1