(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-azanyl-3-chloranyl-benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-azanyl-3-chloranyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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