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

Systemtic Name: (phenylmethyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: benzyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid benzyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c22-20(25-16-17-8-4-3-5-9-17)18-10-12-19(13-11-18)26(23,24)21-14-6-1-2-7-15-21/h3-5,8-13H,1-2,6-7,14-16H2