N-(1,3-benzodioxol-5-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-4-(4-tosylpiperazino)butyramide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O6S/c1-16-2-5-18(6-3-16)32(28,29)25-12-10-24(11-13-25)22(27)9-8-21(26)23-17-4-7-19-20(14-17)31-15-30-19/h2-7,14H,8-13,15H2,1H3,(H,23,26)