(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-tert-butylbenzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-tert-butylbenzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-5-28-22-11-10-20(34(30,31)27-12-14-32-15-13-27)16-21(22)26-23(28)17-33-24(29)18-6-8-19(9-7-18)25(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3