4-[2-[(2-nitropyridin-3-yl)oxymethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(2-nitropyridin-3-yl)oxymethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(2-nitro-3-pyridyl)oxymethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(2-nitro-3-pyridinyl)oxymethyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(2-nitropyridin-3-yl)oxymethyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(2-nitro-3-pyridyl)oxymethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC4=C(N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6S/c1-2-8-24-17-6-5-15(32(28,29)23-9-11-30-12-10-23)13-16(17)22-19(24)14-31-18-4-3-7-21-20(18)25(26)27/h3-7,13H,2,8-12,14H2,1H3