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

Systemtic Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(1H-benzimidazol-2-yl)piperidino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

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