(6-bromanylnaphthalen-2-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (6-bromo-2-naphthyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (6-bromo-2-naphthyl) ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C23H22BrNO4S/c24-20-9-5-19-16-21(10-6-18(19)15-20)29-23(26)17-7-11-22(12-8-17)30(27,28)25-13-3-1-2-4-14-25/h5-12,15-16H,1-4,13-14H2