ethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: ethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid ethyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NO4S/c1-2-20-15(17)13-7-9-14(10-8-13)21(18,19)16-11-5-3-4-6-12-16/h7-10H,2-6,11-12H2,1H3