phenyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: phenyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: phenyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid phenyl ester IUPAC Name: phenyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid phenyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c21-19(24-17-8-4-3-5-9-17)16-10-12-18(13-11-16)25(22,23)20-14-6-1-2-7-15-20/h3-5,8-13H,1-2,6-7,14-15H2