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

Systemtic Name: (3-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-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(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N2O4S/c22-15-17-6-5-7-18(14-17)16-27-21(24)19-8-10-20(11-9-19)28(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,16H2