3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H26N4O6S/c1-14-19(15(2)31-23-14)32(28,29)24-10-5-7-16(13-24)20(26)30-12-6-11-25-18-9-4-3-8-17(18)22-21(25)27/h3-4,8-9,16H,5-7,10-13H2,1-2H3,(H,22,27)