4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidino]-5-nitro-phenyl]sulfonylmorpholine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H25N5O5S/c28-27(29)17-7-8-20(21(14-17)33(30,31)26-10-12-32-13-11-26)25-9-3-4-16(15-25)22-23-18-5-1-2-6-19(18)24-22/h1-2,5-8,14,16H,3-4,9-13,15H2,(H,23,24)/t16-/m0/s1