phenyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: phenyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: phenyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid phenyl ester IUPAC Name: phenyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid phenyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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