3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H27N3O5S/c1-17-10-11-18(32(29,30)25-12-5-2-6-13-25)16-19(17)22(27)31-15-7-14-26-21-9-4-3-8-20(21)24-23(26)28/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,24,28)