3-(2-chloranyl-5-piperidin-1-ylsulfonyl-cyclohexa-1,5-dien-1-yl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-(2-chloranyl-5-piperidin-1-ylsulfonyl-cyclohexa-1,5-dien-1-yl)-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[2-chloro-5-(1-piperidylsulfonyl)cyclohexa-1,5-dien-1-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[2-chloro-5-(1-piperidinylsulfonyl)-1-cyclohexa-1,5-dienyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-(2-chloro-5-piperidin-1-ylsulfonylcyclohexa-1,5-dien-1-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-(2-chloro-5-piperidinosulfonyl-cyclohexa-1,5-dien-1-yl)-N,N-diethyl-benzenesulfonamide Formula: C21H29ClN2O4S2 MolecularWeight: 473.04896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=C(CCC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=C(CCC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H29ClN2O4S2/c1-3-23(4-2)29(25,26)18-10-8-9-17(15-18)20-16-19(11-12-21(20)22)30(27,28)24-13-6-5-7-14-24/h8-10,15-16H,3-7,11-14H2,1-2H3