2-chloranyl-N,N-diethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N,N-diethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N,N-diethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N,N-diethyl-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N,N-diethyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H27ClN4O3S MolecularWeight: 450.98208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H27ClN4O3S/c1-3-26(4-2)30(28,29)20-15-18(5-6-19(20)22)21(27)25-13-11-24(12-14-25)16-17-7-9-23-10-8-17/h5-10,15H,3-4,11-14,16H2,1-2H3