naphthalen-2-yl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: naphthalen-2-yl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-naphthyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-naphthyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23NO4S/c25-23(28-21-13-12-18-8-3-4-9-19(18)16-21)20-10-7-11-22(17-20)29(26,27)24-14-5-1-2-6-15-24/h3-4,7-13,16-17H,1-2,5-6,14-15H2