N-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-piperonyl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-6-7-16(2)18(11-15)23(29(3,25)26)10-4-5-21(24)22-13-17-8-9-19-20(12-17)28-14-27-19/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,22,24)