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

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(1-methyl-3-pyrazolyl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-(1-methylpyrazol-3-yl)butyramide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=N1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O4S/c1-21-10-9-16(20-21)19-17(24)7-8-18(25)22-11-13-23(14-12-22)28(26,27)15-5-3-2-4-6-15/h2-6,9-10H,7-8,11-14H2,1H3,(H,19,20,24)