cyanomethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: cyanomethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: cyanomethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C15H18N2O4S/c16-9-12-21-15(18)13-5-7-14(8-6-13)22(19,20)17-10-3-1-2-4-11-17/h5-8H,1-4,10-12H2