(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-aminocarbonylbenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-aminocarbonylbenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H26N4O6S/c1-2-9-27-20-8-7-18(34(30,31)26-10-12-32-13-11-26)14-19(20)25-21(27)15-33-23(29)17-5-3-16(4-6-17)22(24)28/h3-8,14H,2,9-13,15H2,1H3,(H2,24,28)