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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-piperonyl-butyramide Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-14-5-7-16(21)11-17(14)23(29(2,25)26)9-3-4-20(24)22-12-15-6-8-18-19(10-15)28-13-27-18/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,22,24)