(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-nitrobenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-2-9-25-20-8-7-18(34(30,31)24-10-12-32-13-11-24)14-19(20)23-21(25)15-33-22(27)16-3-5-17(6-4-16)26(28)29/h3-8,14H,2,9-13,15H2,1H3