N-heptan-2-yl-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-heptan-2-yl-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-methylhexyl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-heptan-2-yl-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-heptan-2-yl-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-(1-methylhexyl)butyramide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)NC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H33N3O4S/c1-3-4-6-9-18(2)22-20(25)12-13-21(26)23-14-16-24(17-15-23)29(27,28)19-10-7-5-8-11-19/h5,7-8,10-11,18H,3-4,6,9,12-17H2,1-2H3,(H,22,25)