2-[(4-bromanylnaphthalen-1-yl)sulfonyl-butyl-amino]benzoate

Systemtic Name: 2-[(4-bromanylnaphthalen-1-yl)sulfonyl-butyl-amino]benzoate Openeye Name: 2-[(4-bromo-1-naphthyl)sulfonyl-butyl-amino]benzoate CAS Name: 2-[(4-bromo-1-naphthalenyl)sulfonyl-butylamino]benzoate IUPAC Name: 2-[(4-bromonaphthalen-1-yl)sulfonyl-butylamino]benzoate Traditional Name: 2-[(4-bromo-1-naphthyl)sulfonyl-butyl-amino]benzoate Formula: C21H19BrNO4S- MolecularWeight: 461.34886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CCCCN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C21H20BrNO4S/c1-2-3-14-23(19-11-7-6-10-17(19)21(24)25)28(26,27)20-13-12-18(22)15-8-4-5-9-16(15)20/h4-13H,2-3,14H2,1H3,(H,24,25)/p-1