5-chloranyl-2-[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-piperidyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidin-4-yl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[1-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-4-piperidyl]-1,3-benzoxazole Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H23ClN4O5S/c23-16-3-6-20-18(13-16)24-22(32-20)15-7-11-25(12-8-15)19-5-4-17(27(28)29)14-21(19)33(30,31)26-9-1-2-10-26/h3-6,13-15H,1-2,7-12H2