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

Systemtic Name: (2-cyanophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-cyanophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(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=CC(=C2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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