3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H27N3O5S/c27-22(31-16-8-15-26-21-12-4-3-11-20(21)24-23(26)28)18-9-7-10-19(17-18)32(29,30)25-13-5-1-2-6-14-25/h3-4,7,9-12,17H,1-2,5-6,8,13-16H2,(H,24,28)