N-[[3-(methoxymethyl)phenyl]methyl]-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-[[3-(methoxymethyl)phenyl]methyl]-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-[3-(methoxymethyl)benzyl]butyramide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)CNC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCC1=CC=CC(=C1)CNC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-31-18-20-7-5-6-19(16-20)17-24-22(27)10-11-23(28)25-12-14-26(15-13-25)32(29,30)21-8-3-2-4-9-21/h2-9,16H,10-15,17-18H2,1H3,(H,24,27)