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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-piperonyl-butyramide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-5-3-6-17(11-15)22(28(2,24)25)10-4-7-20(23)21-13-16-8-9-18-19(12-16)27-14-26-18/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,21,23)