(2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-3-methyl-N-piperonyl-2-(tosylamino)butyramide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-13(2)19(22-28(24,25)16-7-4-14(3)5-8-16)20(23)21-11-15-6-9-17-18(10-15)27-12-26-17/h4-10,13,19,22H,11-12H2,1-3H3,(H,21,23)/t19-/m0/s1