(3-nitrophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (3-nitrophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (3-nitrophenyl)methyl 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid (3-nitrobenzyl) ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6S/c1-25-21-9-8-19(34(31,32)26-12-3-2-4-13-26)15-20(21)24-22(25)10-11-23(28)33-16-17-6-5-7-18(14-17)27(29)30/h5-9,14-15H,2-4,10-13,16H2,1H3