(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-azanyl-5-chloranyl-benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-azanyl-5-chloranyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-chlorobenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H23ClN4O5S MolecularWeight: 478.94912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5S/c1-2-26-19-6-4-15(32(28,29)25-7-9-30-10-8-25)12-18(19)24-20(26)13-31-21(27)16-11-14(22)3-5-17(16)23/h3-6,11-12H,2,7-10,13,23H2,1H3