3-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-4-chloranyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-4-chloranyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-4-chloro-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 3-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4-chloro-N,N-diethyl-benzenesulfonamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27ClN4O3S/c1-3-28(4-2)32(30,31)17-11-12-19(24)18(14-17)23(29)27-13-7-8-16(15-27)22-25-20-9-5-6-10-21(20)26-22/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,25,26)/t16-/m0/s1