2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-5-nitro-benzenesulfonamide

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-5-nitro-benzenesulfonamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-N,N-diethyl-5-nitro-benzenesulfonamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-N,N-diethyl-5-nitrobenzenesulfonamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-5-nitrobenzenesulfonamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidino]-N,N-diethyl-5-nitro-benzenesulfonamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-3-26(4-2)32(30,31)21-14-17(27(28)29)11-12-20(21)25-13-7-8-16(15-25)22-23-18-9-5-6-10-19(18)24-22/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,23,24)/t16-/m1/s1