ethyl 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C21H31N5O5S/c1-3-26-19-6-5-17(32(28,29)25-11-13-30-14-12-25)15-18(19)22-20(26)16-23-7-9-24(10-8-23)21(27)31-4-2/h5-6,15H,3-4,7-14,16H2,1-2H3