(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25NO5S2/c23-19(20-11-7-15-28-20)10-6-14-27-21(24)17-8-5-9-18(16-17)29(25,26)22-12-3-1-2-4-13-22/h5,7-9,11,15-16H,1-4,6,10,12-14H2