(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl cyclohex-3-ene-1-carboxylate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl cyclohex-3-ene-1-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4CCC=CC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4CCC=CC4

InChI

InChI=1S/C22H29N3O5S/c1-2-10-25-20-9-8-18(31(27,28)24-11-13-29-14-12-24)15-19(20)23-21(25)16-30-22(26)17-6-4-3-5-7-17/h3-4,8-9,15,17H,2,5-7,10-14,16H2,1H3