(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-methylbenzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-methylbenzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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(=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-3-25-20-8-7-18(31(27,28)24-9-11-29-12-10-24)14-19(20)23-21(25)15-30-22(26)17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3