(2-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N2O4S/c22-15-18-7-3-4-8-19(18)16-27-21(24)17-9-11-20(12-10-17)28(25,26)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14,16H2