1-cyanoethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 1-cyanoethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1-cyanoethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid 1-cyanoethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H20N2O4S/c1-13(12-17)22-16(19)14-6-8-15(9-7-14)23(20,21)18-10-4-2-3-5-11-18/h6-9,13H,2-5,10-11H2,1H3