3,4-dimethyl-N-[4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[4-oxo-4-[4-(4-pyridyl)piperazin-1-yl]butyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[4-oxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[4-oxo-4-(4-pyridin-4-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: N-[4-keto-4-[4-(4-pyridyl)piperazino]butyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-17-5-6-20(16-18(17)2)29(27,28)23-9-3-4-21(26)25-14-12-24(13-15-25)19-7-10-22-11-8-19/h5-8,10-11,16,23H,3-4,9,12-15H2,1-2H3