N-(3-ethynylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethynylphenyl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3-ethynylphenyl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethynylphenyl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-N-(3-ethynylphenyl)-4-keto-butyramide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-2-18-7-6-8-19(17-18)23-21(26)11-12-22(27)24-13-15-25(16-14-24)30(28,29)20-9-4-3-5-10-20/h1,3-10,17H,11-16H2,(H,23,26)