3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C)C

InChI

InChI=1S/C26H33N3O5S/c1-17-16-18(2)20(4)24(19(17)3)35(32,33)28-13-10-21(11-14-28)25(30)34-15-7-12-29-23-9-6-5-8-22(23)27-26(29)31/h5-6,8-9,16,21H,7,10-15H2,1-4H3,(H,27,31)