naphthalen-2-yl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: naphthalen-2-yl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-naphthyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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